Summary

IMPPAT Phytochemical identifier: IMPHY017394

Phytochemical name: 2-Pentenenitrile

Synonymous chemical names:
2-pentanonitrile, 2-pentene nitrile

External chemical identifiers:
CID:5364360, ChEMBL:CHEMBL2138413, ZINC:ZINC000002012972, FDASRS:1VA047EULA, SureChEMBL:SCHEMBL57530

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Chemical structure information

SMILES:
CC/C=C/C#N

InChI:
InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3/b4-3+

InChIKey:
ISBHMJZRKAFTGE-ONEGZZNKSA-N

DeepSMILES:
CC/C=C/C#N

Functional groups:
C/C=C/C#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: Fatty alcohols, Hydrocarbons

NP-Likeness score: 1.274

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Chemical structure download