Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006615

Phytochemical name: Methyl vinyl ketone

Synonymous chemical names:
but-3-en-2-one, 3-buten-2-one, methyl vinyl ketone, 1-buten-3-one, methylvinylketone

External chemical identifiers:
CID:CID_6570, ChEMBL:CHEMBL1600824, ChEBI:CHEBI:48058, ZINC:ZINC000001680420, FDASRS:AR7642I1MP, SureChEMBL:SCHEMBL14964, MolPort-003-927-327

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Chemical structure information

SMILES:
CC(=O)C=C

InChI:
InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3

InChIKey:
FUSUHKVFWTUUBE-UHFFFAOYSA-N

DeepSMILES:
CC=O)C=C

Functional groups:
C=CC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 1.096

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Chemical structure download