Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012973

Phytochemical name: Cyclopentanone, 2-(acetyloxy)-

Synonymous chemical names:
acetoxycyclopentanone

External chemical identifiers:
CID:CID_11194392, SureChEMBL:SCHEMBL3830715

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Chemical structure information

SMILES:
CC(=O)OC1CCCC1=O

InChI:
InChI=1S/C7H10O3/c1-5(8)10-7-4-2-3-6(7)9/h7H,2-4H2,1H3

InChIKey:
RBEIPUMJEQUKIW-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCCCCC5=O

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

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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: 1.223

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Chemical structure download