Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004856

Phytochemical name: 4-Pentenenitrile

Synonymous chemical names:
4-pentenonitrile, 4-pentene nitrile, but-3-enyl cyanide, 4-penten-nitrile

External chemical identifiers:
CID:CID_11604, ChEMBL:CHEMBL1595985, ZINC:ZINC000002034589, FDASRS:89HYM37372, SureChEMBL:SCHEMBL150486, MolPort-002-498-133

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Chemical structure information

SMILES:
C=CCCC#N

InChI:
InChI=1S/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2

InChIKey:
CFEYBLWMNFZOPB-UHFFFAOYSA-N

DeepSMILES:
C=CCCC#N

Functional groups:
C=CC, CC#N

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire 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

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Chemical structure download