Summary

IMPPAT Phytochemical identifier: IMPHY012131

Phytochemical name: Pent-3-en-2-one

Synonymous chemical names:
pent-3-en-2-one

External chemical identifiers:
CID:12248, ChEBI:89540

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Chemical structure information

SMILES:
CC=CC(=O)C

InChI:
InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3

InChIKey:
LABTWGUMFABVFG-UHFFFAOYSA-N

DeepSMILES:
CC=CC=O)C

Functional groups:
CC=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: 1.367

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Chemical structure download