Summary

IMPPAT Phytochemical identifier: IMPHY003131

Phytochemical name: 2-Methylbutyronitrile

Synonymous chemical names:
2-methylbutyronitrile

External chemical identifiers:
CID:29339, ChEBI:61669, FDASRS:R5Y900M14U, SureChEMBL:SCHEMBL26868, MolPort-001-783-994

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Chemical structure information

SMILES:
CC(C#N)CC

InChI:
InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3

InChIKey:
RCEJCSULJQNRQQ-UHFFFAOYSA-N

DeepSMILES:
CCC#N))CC

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: Oxygenated hydrocarbons

NP-Likeness score: -1.343

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Chemical structure download