Summary

IMPPAT Phytochemical identifier: IMPHY012251

Phytochemical name: 2-Hydroxycyclopent-2-en-1-one

Synonymous chemical names:
2-hydroxylcyclopent-2-en-1-one

External chemical identifiers:
CID:82674, ZINC:ZINC000005188135, FDASRS:DQ8L4K1DLJ, SureChEMBL:SCHEMBL1006026, MolPort-006-119-606

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Chemical structure information

SMILES:
O=C1CCC=C1O

InChI:
InChI=1S/C5H6O2/c6-4-2-1-3-5(4)7/h2,6H,1,3H2

InChIKey:
WOPKYMRPOKFYNI-UHFFFAOYSA-N

DeepSMILES:
O=CCCC=C5O

Functional groups:
O=C1CCC=C1O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCC1

Scaffold Graph/Node level:
OC1CCCC1

Scaffold Graph level:
CC1CCCC1

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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: Shikimates and Phenylpropanoids

NP-Likeness score: 1.842

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Chemical structure download