JB 1-0

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Basic information

CAS: 78617-10-4
Standard SMILES: COc1cc(Br)c(C2CC(=O)CC3CCCCN32)cc1OC
InChIKey: GBSNIMKWBQIPII-UHFFFAOYSA-N
Molecular formula: C17H22BrNO3
Average molar mass: 368.3 g/mol
Monoisotopic mass: 367.07831

Overview

synthetic analog of cryogenine; structure given in first source

Names & identifiers

Preferred name: JB 1-0
IUPAC: 4-(2-bromo-4,5-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
English name: JB 1-0
Molecular formula: C17H22BrNO3
Molecular weight: 368.26548

Names & synonyms

JB 1-04-(2-Bromo-4,5-dimethoxyphenyl)octahydro-2H-quinolizin-2-one78617-10-4JB-1-0DTXSID60999906RefChem:150430DTXCID6014268754-(2-bromo-4,5-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-oneorb1696860SCHEMBL10358960AKOS040752168T32277

Show more names

2H-Quinolizin-2-one, 4-(2-bromo-4,5-dimethoxyphenyl)octahydro-

Database identifiers

CAS: 78617-10-4
PubChem CID: 132874
DTXSID: DTXSID60999906
Nikkaji: J488.731J

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 38.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 405

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Compound notes

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