Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015095

Phytochemical name: Bicyclo[3.1.0]hex-3-EN-2-OL

Synonymous chemical names:
bicyclo [3.1.0] hex-3-en-2-ol

External chemical identifiers:
CID:CID_14909256

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Chemical structure information

SMILES:
OC1C=CC2C1C2

InChI:
InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h1-2,4-7H,3H2

InChIKey:
BVRVFHPMYDYRHQ-UHFFFAOYSA-N

DeepSMILES:
OCC=CCC5C3

Functional groups:
CO, CC=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC2C1

Scaffold Graph/Node level:
C1CC2CC2C1

Scaffold Graph level:
C1CC2CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP-Likeness score: 3.238

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Chemical structure download