Summary

IMPPAT Phytochemical identifier: IMPHY001577

Phytochemical name: Ethyl vinyl ketone

Synonymous chemical names:
1 -penten-3-one, 1-penten-3-one

External chemical identifiers:
CID:15394, ChEMBL:CHEMBL1506228, ChEBI:89945, ZINC:ZINC000001574309, FDASRS:R0053Y1AZ7, SureChEMBL:SCHEMBL128924

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Chemical structure information

SMILES:
CCC(=O)C=C

InChI:
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3

InChIKey:
JLIDVCMBCGBIEY-UHFFFAOYSA-N

DeepSMILES:
CCC=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: 1.13

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Chemical structure download