Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001730

Phytochemical name: 4-Penten-2-one

Synonymous chemical names:
4-penten-2-one

External chemical identifiers:
CID:CID_83797, ChEBI:CHEBI:87508, ZINC:ZINC000097125343, FDASRS:4CUM84CQ9J, SureChEMBL:SCHEMBL478012

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Chemical structure information

SMILES:
CC(=O)CC=C

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

InChIKey:
PNJWIWWMYCMZRO-UHFFFAOYSA-N

DeepSMILES:
CC=O)CC=C

Functional groups:
CC(C)=O, C=CC

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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: 0.8

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Chemical structure download