8-Oxo-2,2-dimethyl-7alpha-isopropyl-3-oxa-1-azabicyclo[4.2.0]octane
Basic information
- Standard SMILES
CC(C)C1C(=O)N2C1CCOC2(C)C- InChIKey
LUMIANQHZMGUMK-UHFFFAOYSA-N- Molecular formula
- C11H19NO2
- Average molar mass
- 197.27 g/mol
- Monoisotopic mass
- 197.14157885
Names & identifiers
- Preferred name
- 8-Oxo-2,2-dimethyl-7alpha-isopropyl-3-oxa-1-azabicyclo[4.2.0]octane
- IUPAC
- 2,2-dimethyl-7-propan-2-yl-3-oxa-1-azabicyclo[4.2.0]octan-8-one
Names & synonyms
SCHEMBL9782627LUMIANQHZMGUMK-UHFFFAOYSA-N8-oxo- 2,2-dimethyl-7alpha-isopropyl-3-oxa-1-azabicyclo[4.2.0]octane8-oxo-2,2-dimethyl-7alpha-isopropyl-3-oxa-1-azabicyclo[4.2.0]-octane8-oxo-2,2-dimethyl-7alpha-isopropyl-3-oxa-1-azabicyclo[4.2.0]octane
Database identifiers
- PubChem CID
- 13051144
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 260
Related reactions
11 records
Compound notes
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