Summary

IMPPAT Phytochemical identifier: IMPHY012108

Phytochemical name: Cyclobutane

Synonymous chemical names:
cyclobutane

External chemical identifiers:
CID:9250, ChEBI:30377, ZINC:ZINC000242614939, FDASRS:5X619RB2CY, SureChEMBL:SCHEMBL1997

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Chemical structure information

SMILES:
C1CCC1

InChI:
InChI=1S/C4H8/c1-2-4-3-1/h1-4H2

InChIKey:
PMPVIKIVABFJJI-UHFFFAOYSA-N

DeepSMILES:
CCCC4

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC1

Scaffold Graph/Node level:
C1CCC1

Scaffold Graph level:
C1CCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Cycloalkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP-Likeness score: -0.059

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Chemical structure download