Summary

IMPPAT Phytochemical identifier: IMPHY017759

Phytochemical name: Butyronitrile

Synonymous chemical names:
butanenitrile

External chemical identifiers:
CID:8008, ChEBI:51937, ZINC:ZINC000001586661, FDASRS:O3V36V0W0M, SureChEMBL:SCHEMBL22628, MolPort-001-770-811

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Chemical structure information

SMILES:
CCCC#N

InChI:
InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3

InChIKey:
KVNRLNFWIYMESJ-UHFFFAOYSA-N

DeepSMILES:
CCCC#N

Functional groups:
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: -0.573

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Chemical structure download