Basic information
- Standard SMILES
Cc1cc(Br)ccc1N1CCCC2(CCOCC2)C1=O- InChIKey
NHSLQKQYHKNEOD-UHFFFAOYSA-N- Molecular formula
- C16H20BrNO2
- Average molar mass
- 338.24 g/mol
- Monoisotopic mass
- 337.06774
Names & identifiers
- Preferred name
- 2-(4-Bromo-2-methyl-phenyl)-9-oxa-2-aza-spiro[5.5]undecan-1-one
- IUPAC
- 2-(4-bromo-2-methylphenyl)-9-oxa-2-azaspiro[5.5]undecan-1-one
Names & synonyms
SCHEMBL2473890NHSLQKQYHKNEOD-UHFFFAOYSA-N2-(4-Bromo-2-methyl-phenyl)-9-oxa-2-aza-spiro[5.5]undecan-1-one
Database identifiers
- PubChem CID
- 58468071
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Related reactions
3 records
Compound notes
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