Summary

IMPPAT Phytochemical identifier: IMPHY016602

Phytochemical name: Cyclopentanone

Synonymous chemical names:
cyclopentanone

External chemical identifiers:
CID:8452, ChEMBL:CHEMBL18620, ChEBI:16486, ZINC:ZINC000000895304, FDASRS:220W81TN3S, SureChEMBL:SCHEMBL19364, MolPort-000-871-991

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Chemical structure information

SMILES:
O=C1CCCC1

InChI:
InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2

InChIKey:
BGTOWKSIORTVQH-UHFFFAOYSA-N

DeepSMILES:
O=CCCCC5

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC1

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-Likeness score: 0.712

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Chemical structure download