4-Oxa-1-azabicyclo[4.2.0]octan-8-one, 7-phenyl-, cis-
Basic information
- CAS
62500-60-1- Standard SMILES
O=C1[C@H](c2ccccc2)[C@H]2COCCN12- InChIKey
QUNKRWBSQKGCKM-GHMZBOCLSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- 4-Oxa-1-azabicyclo[4.2.0]octan-8-one, 7-phenyl-, cis-
- IUPAC
- (6S,7R)-7-phenyl-4-oxa-1-azabicyclo[4.2.0]octan-8-one
Names & synonyms
62500-60-14-Oxa-1-azabicyclo[4.2.0]octan-8-one, 7-phenyl-, cis-DTXSID80443395(6S,7R)-7-phenyl-4-oxa-1-azabicyclo[4.2.0]octan-8-one
Database identifiers
- CAS
62500-60-1- PubChem CID
- 10679657
- DTXSID
DTXSID80443395
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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