1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine
Basic information
- CAS
69435-48-9- Standard SMILES
O=C(CBr)N1CCCCc2ncccc21- InChIKey
RDRYJVYHQCKKDP-UHFFFAOYSA-N- Molecular formula
- C11H13BrN2O
- Average molar mass
- 269.14 g/mol
- Monoisotopic mass
- 268.02113
Overview
RN given refers to parent cpd; structure in first source
Names & identifiers
- Preferred name
- 1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine
- IUPAC
- 2-bromo-1-(6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)ethanone
- English name
- 1-bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine
- Molecular weight
- 0
Names & synonyms
1-Bromoacetyl-2,3,4,5-tetrahydro-1H-pyrido(3,2-b)azepine69435-48-9DTXSID40219598RefChem:75154DTXCID901420892-bromo-1-(6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)ethanone5H-Pyrido(3,2-b)azepine, 5-(bromoacetyl)-6,7,8,9-tetrahydro-2-Bromo-1-(6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepin-5-yl)ethan-1-one
Database identifiers
- CAS
69435-48-9- PubChem CID
- 129651
- DTXSID
DTXSID40219598
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
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Compound notes
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