Summary

IMPPAT Phytochemical identifier: IMPHY017109

Phytochemical name: Cyclobutanone

Synonymous chemical names:
cyclobutanone

External chemical identifiers:
CID:14496, ZINC:ZINC000001562200, FDASRS:6PF2SH405U, SureChEMBL:SCHEMBL276387, MolPort-001-767-543

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Chemical structure information

SMILES:
O=C1CCC1

InChI:
InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2

InChIKey:
SHQSVMDWKBRBGB-UHFFFAOYSA-N

DeepSMILES:
O=CCCC4

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC1

Scaffold Graph/Node level:
OC1CCC1

Scaffold Graph level:
CC1CCC1

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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: 0.5

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Chemical structure download