Basic information
- CAS
54200-39-4- Standard SMILES
CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccccc1)OC2=O- InChIKey
JATBHYVYMBIJTL-JKSUJKDBSA-N- Molecular formula
- C16H19NO3
- Average molar mass
- 273.33 g/mol
- Monoisotopic mass
- 273.13649347
Names & identifiers
- Preferred name
- 2-Oxabicyclo[2.2.1]heptane-1-carboxamide, 4,7,7-trimethyl-3-oxo-N-phenyl-, (1S)-
- IUPAC
- (1S,4R)-4,7,7-trimethyl-3-oxo-N-phenyl-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Names & synonyms
DTXSID6011349112-Oxabicyclo[2.2.1]heptane-1-carboxamide, 4,7,7-trimethyl-3-oxo-N-phenyl-, (1S)-54200-39-4(1S,4R)-4,7,7-Trimethyl-3-oxo-N-phenyl-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Database identifiers
- CAS
54200-39-4- PubChem CID
- 891766
- DTXSID
DTXSID601134911
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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