Consensus flow list

Pent-2-enenitrile

fo-fcca1cb93d3bff6b

Identity

Type
Neutral molecule
CAS
25899-50-7
EC
247-323-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Pent-2-enenitrile

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ISBHMJZRKAFTGE-ARJAWSKDSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3/b4-3-
Isomeric SMILES string chemrof:isomeric_smiles_string CC/C=C\C#N
IUPAC name chemrof:IUPAC_name (2Z)-2-Pentenenitrile
Molecular formula chemrof:molecular_formula C5H7N
Molecular mass chemrof:molecular_mass 81.118
Monoisotopic mass chemrof:monoisotopic_mass 81.057849
SMILES string chemrof:smiles_string CCC=CC#N

Known URLs

9

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=25899-50-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.043.006 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2027884 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185899 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/13MIC79314 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J181.278E enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130649 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6433944 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27251526 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
bae8bbdb-dcb8-46b9-8081-835499d43caf Environmental → Air → Aircraft cruise height EF 3.1 kg 4
de07b58d-c965-4e19-a3b3-ae5877c7423d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
42cf9787-16e0-4896-aafb-6294cd96e01f Environmental → Air → Indoor EF 3.1 kg 4
2aeda3f3-c733-4d20-b9bc-cd58131fbe9f Environmental → Air → Long-term EF 3.1 kg 0
86777cf8-abd5-48ee-8943-ed572aa62e0e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
2e626203-6125-4ce5-b24b-0fa4287a675f Environmental → Air → Unknown EF 3.1 kg 4
1cf09e21-2092-400f-90fe-e2ddbd13d205 Environmental → Ground → Agricultural EF 3.1 kg 4
e9445f99-a77b-4696-a3a8-4d32a5e7b8f1 Environmental → Ground → Non-agricultural EF 3.1 kg 4
84032bdb-23d8-4b59-b5ef-f54cb096e39f Environmental → Ground → Unknown EF 3.1 kg 4
3ec66a6c-3383-4b74-9a36-862c82056da2 Environmental → Water → Long-term EF 3.1 kg 0
c7e277fc-e779-4111-bc8a-1d0be7d3d56b Environmental → Water → Ocean EF 3.1 kg 4
d3b71f99-1766-4cfe-915c-cc12d93dae3f Environmental → Water → Surface water EF 3.1 kg 4
cf6f93fd-ee68-44fe-b9d4-e89944490679 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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