Summary

IMPPAT Phytochemical identifier: IMPHY012140

Phytochemical name: 2-Cyclohexen-1-one

Synonymous chemical names:
2-cyclohexen-1-one, 2-cyclohexenone, cyclohex-2-en-1-one

External chemical identifiers:
CID:13594, ChEMBL:CHEMBL1439332, ChEBI:15977, ZINC:ZINC000100004096, FDASRS:445160R1U6, SureChEMBL:SCHEMBL9892, MolPort-001-760-005

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Chemical structure information

SMILES:
O=C1CCCC=C1

InChI:
InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2

InChIKey:
FWFSEYBSWVRWGL-UHFFFAOYSA-N

DeepSMILES:
O=CCCCC=C6

Functional groups:
CC=CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCCC1

Scaffold Graph/Node level:
OC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP-Likeness score: 1.942

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Chemical structure download