Summary
IMPPAT Phytochemical identifier: IMPHY007140
Phytochemical name: Methyl vinyl ketone
Synonymous chemical names:1-buten-3-one, 3-buten-2-one, but-3-en-2-one, methyl vinyl ketone, methylvinylketone
External chemical identifiers:CID:6570, ChEMBL:CHEMBL1600824, ChEBI:48058, ZINC:ZINC000001680420, FDASRS:AR7642I1MP, SureChEMBL:SCHEMBL14964, MolPort-003-927-327
Chemical structure information
SMILES:
CC(=O)C=CInChI:
InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3InChIKey:
FUSUHKVFWTUUBE-UHFFFAOYSA-NDeepSMILES:
CC=O)C=CFunctional groups:
C=CC(C)=O
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organic oxygen compoundsClassyFire 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
Chemical structure download