N-(3-phenyl-1-azabicyclo[2.2.2]octan-3-yl)prop-2-enamide
Basic information
- CAS
59397-10-3- Standard SMILES
C=CC(=O)NC1(c2ccccc2)CN2CCC1CC2- InChIKey
XDFKWDBTGVEEAR-UHFFFAOYSA-N- Molecular formula
- C16H20N2O
- Average molar mass
- 256.34 g/mol
- Monoisotopic mass
- 256.15756327
Names & identifiers
- Preferred name
- N-(3-phenyl-1-azabicyclo[2.2.2]octan-3-yl)prop-2-enamide
- IUPAC
- N-(3-phenyl-1-azabicyclo[2.2.2]octan-3-yl)prop-2-enamide
Names & synonyms
59397-10-3N-(3-phenyl-1-azabicyclo[2.2.2]octan-3-yl)prop-2-enamideNSC279962DTXSID90314027NSC-279962
Database identifiers
- CAS
59397-10-3- PubChem CID
- 322444
- DTXSID
DTXSID90314027
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 354
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Compound notes
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