3,9-Dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one
Basic information
- CAS
141549-84-0- Standard SMILES
CN1CC2CC(=O)CC(C1)N2C- InChIKey
RWTIGSVLCKEUPK-UHFFFAOYSA-N- Molecular formula
- C9H16N2O
- Average molar mass
- 168.24 g/mol
- Monoisotopic mass
- 168.12626313
Names & identifiers
- Preferred name
- 3,9-Dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one
- IUPAC
- 3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one
Names & synonyms
3,9-Dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one141549-84-0DTXSID005999043,9-Dimethyl-3,9-diazabicyclo(3.3.1)nonan-7-oneRefChem:272804DTXCID10550662SCHEMBL6952003RWTIGSVLCKEUPK-UHFFFAOYSA-N7-oxo-3,9-dimethyl3,9-diazabicyclo[3.3.1)nonane7-Oxo-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonane
Database identifiers
- CAS
141549-84-0- PubChem CID
- 19786409
- DTXSID
DTXSID00599904
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
Related reactions
3 records
Compound notes
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