108767 <common-name>2-Pentenenitrile, (2E)-</common-name> <description>(2E)-2-Pentenenitrile is a chemical compound with the formula C5H7N and an average molecular weight of 81.12 g/mol. It has been identified in or released from three recorded sources, including drinking water and water supply (drinking water) as well as electrical and electronic equipment, specifically fixed capacitors and their manufacture and electrically stimulated smoking devices. The recorded exposure route for this compound is oral.</description> <cas>26294-98-4</cas> <pubchem-id>25833</pubchem-id> <chemical-formula>C5H7N</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-05T16:47:04Z</created-at> <updated-at type="dateTime">2026-05-20T18:29:50Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCC=CC#N</moldb-smiles> <moldb-formula>C5H7N</moldb-formula> <moldb-inchi>InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3</moldb-inchi> <moldb-inchikey>ISBHMJZRKAFTGE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">81.118</moldb-average-mass> <moldb-mono-mass type="decimal">81.05784922</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>24069</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM104660</chemdb-id> <dsstox-id>DTXSID6027894</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00077392</susdat-id> <iupac>Pent-2-enenitrile</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer">5</paper-count> <sync-id>CED0042990</sync-id> <structure-inchikey>ISBHMJZRKAFTGE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000040000000000000000000000000000000002000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000020000200000000000000000000000200000000000000000000000000000000004000000000000000000000000000000040004000000000000002000000000000000000000000000000000000000000000000000000080100008000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>40000000000400000000000000000000000000000000000000000000000000004000000004000000000000011000000000000000000000042000000000000000000020000000000000000003000000000000000000000400000000000001004000000110400000010000200400000040000000000000000000000100400020000000000000800000000000003000000000000000000000000000002400000000000000000000000000000000000000000000000000000000000000000000000000000000000000800000000000c0000000000000004000000000800000000000000000000000010000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAGAAAABQAAAIABBgBgAAAAAQMGAGAAAAAC AgYAaAAAAAMDAQYAaAAAAAMDAQYAKAAAAAIEBwAoAAAAAgMLAAEAAQIAAgMo AgMEIAQFKANCAAAAABcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:43:17Z</structure-indexed-at> </compound>