4,5,6,6a-tetrahydro-3ah-cyclopenta[c]pyrrole-1,3-dione

1,2-Cyclopentanedicarboximide
2,4-Dioxo-3-azabicyclo[3.3.0]octane
Cyclopenta[c]pyrrole-1,3(2H,3aH)-dione, tetrahydro-
Tetrahydrocyclopenta[c]pyrrole-1,3(2H,3aH)-dione

Property	Value
InChI2D key string chemrof:inchi2d_key_string	QCWDCTDYSDJKTP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H9NO2/c9-6-4-2-1-3-5(4)7(10)8-6/h4-5H,1-3H2,(H,8,9,10)
IUPAC name chemrof:IUPAC_name	4,5,6,6a-tetrahydro-3ah-cyclopenta[c]pyrrole-1,3-dione
Molecular formula chemrof:molecular_formula	C7H9NO2
Molecular mass chemrof:molecular_mass	139.154
Monoisotopic mass chemrof:monoisotopic_mass	139.063329
SMILES string chemrof:smiles_string	O=C1NC(=O)C2CCCC12

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=5763-44-0	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.024.805	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID30901319	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J218.035I	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/110709	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q126609989	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
506b2a45-e966-4bde-a6cb-55be3589b79c	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
fb931a8a-c755-4082-88d1-a55f9c511c79	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
7a8e2208-d508-480e-aaa0-6921f2fce277	Environmental → Air → Indoor	EF 3.1	kg	4
94789782-0f57-4b13-900b-7c70b1f54ce0	Environmental → Air → Long-term	EF 3.1	kg	0
6cf9053c-4d7b-4571-b019-ad871ffcddb8	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
06e6b53d-d1a6-46f4-8d43-282cdc98da66	Environmental → Air → Unknown	EF 3.1	kg	4
af6000d2-13f0-4885-922b-6bbe308e3d92	Environmental → Ground → Agricultural	EF 3.1	kg	4
5552ceed-e2c6-4dcf-87d3-63358b749344	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
d962d833-b872-442b-b8cc-8855a9534bdb	Environmental → Ground → Unknown	EF 3.1	kg	4
4d5a9c3c-0ebf-4150-8d6f-248d4cdb2ac4	Environmental → Water → Long-term	EF 3.1	kg	0
cef8b77c-9c47-44d2-8ca2-95a4bb4e8ea6	Environmental → Water → Ocean	EF 3.1	kg	4
ff6e84fe-4909-4b83-96f5-fdc34852d10c	Environmental → Water → Surface water	EF 3.1	kg	4
cf32f613-05fd-423e-8111-296f72c4447e	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-e9885e9929d1816b",
  "prefLabel": [
    {
      "@value": "4,5,6,6a-tetrahydro-3ah-cyclopenta[c]pyrrole-1,3-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Cyclopentanedicarboximide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5763-44-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5763-44-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4-Dioxo-3-azabicyclo[3.3.0]octane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5763-44-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5763-44-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclopenta[c]pyrrole-1,3(2H,3aH)-dione, tetrahydro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5763-44-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5763-44-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tetrahydrocyclopenta[c]pyrrole-1,3(2H,3aH)-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5763-44-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5763-44-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H9NO2"
      ],
      "attested_by": {
        "C7H9NO2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:110709"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C1NC(=O)C2CCCC12"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "QCWDCTDYSDJKTP-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "QCWDCTDYSDJKTP-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:110709"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C1NC(=O)C2CCCC12"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=C1NC(=O)C2CCCC12"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4,5,6,6a-tetrahydro-3ah-cyclopenta[c]pyrrole-1,3-dione"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C1NC(=O)C2CCCC12"
          ]
        }
      ],
      "attested_by": {
        "O=C1NC(=O)C2CCCC12": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C7H9NO2/c9-6-4-2-1-3-5(4)7(10)8-6/h4-5H,1-3H2,(H,8,9,10)"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4,5,6,6a-tetrahydro-3ah-cyclopenta[c]pyrrole-1,3-dione"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C1NC(=O)C2CCCC12"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C7H9NO2/c9-6-4-2-1-3-5(4)7(10)8-6/h4-5H,1-3H2,(H,8,9,10)": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "4,5,6,6a-tetrahydro-3ah-cyclopenta[c]pyrrole-1,3-dione"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "4,5,6,6a-tetrahydro-3ah-cyclopenta[c]pyrrole-1,3-dione"
        ]
      },
      "attested_by": {
        "4,5,6,6a-tetrahydro-3ah-cyclopenta[c]pyrrole-1,3-dione": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        139.154
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1CC2C(C1)C(=O)NC2=O"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C1NC(=O)C2CCCC12"
          ]
        }
      ],
      "attested_by": {
        "139.154": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        139.063329
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1CC2C(C1)C(=O)NC2=O"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C1NC(=O)C2CCCC12"
          ]
        }
      ],
      "attested_by": {
        "139.063329": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J218.035I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:110709;CAS:5763-44-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5763-44-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.024.805",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:110709;CAS:5763-44-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5763-44-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=5763-44-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:110709;CAS:5763-44-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5763-44-0]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID30901319",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:110709;CAS:5763-44-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5763-44-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/110709",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:110709;CAS:5763-44-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[5763-44-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126609989",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:110709;CAS:5763-44-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5763-44-0]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "06e6b53d-d1a6-46f4-8d43-282cdc98da66",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "5763-44-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=5763-44-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=5763-44-0"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "227-285-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=227-285-6"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

4,5,6,6a-tetrahydro-3ah-cyclopenta[c]pyrrole-1,3-dione

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard