Summary
IMPPAT Phytochemical identifier: IMPHY016990
Phytochemical name: 4-Pentenenitrile
Synonymous chemical names:4-penten-nitrile, 4-pentene nitrile, 4-pentenonitrile, but-3-enyl cyanide
External chemical identifiers:CID:11604, ChEMBL:CHEMBL1595985, ZINC:ZINC000002034589, FDASRS:89HYM37372, SureChEMBL:SCHEMBL150486, MolPort-002-498-133
Chemical structure information
SMILES:
C=CCCC#NInChI:
InChI=1S/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2InChIKey:
CFEYBLWMNFZOPB-UHFFFAOYSA-NDeepSMILES:
C=CCCC#NFunctional groups:
C=CC, CC#N
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organic nitrogen compoundsClassyFire Class: Organonitrogen compounds
ClassyFire Subclass: Organic cyanides
NP Classifier Biosynthetic pathway: Fatty acids
NP Classifier Superclass: Fatty acyls
NP Classifier Class: Hydrocarbons
NP-Likeness score: 0.3
Chemical structure download