Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010193

Phytochemical name: Methacrylonitrile

Synonymous chemical names:
methacrylonitrile, 2-propenenitrile,2-methyl-

External chemical identifiers:
CID:CID_31368, ChEMBL:CHEMBL1529759, ZINC:ZINC000001571157, FDASRS:04S4K38612, SureChEMBL:SCHEMBL14868, MolPort-003-927-505

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Chemical structure information

SMILES:
CC(=C)C#N

InChI:
InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3

InChIKey:
GYCMBHHDWRMZGG-UHFFFAOYSA-N

DeepSMILES:
CC=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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 0.241

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Chemical structure download