Basic information
- Standard SMILES
C(=C/C1CC2CCCC1N2)/c1ccno1- InChIKey
XPNFDYBKKBHNPA-PLNGDYQASA-N- Molecular formula
- C12H16N2O
- Average molar mass
- 204.27 g/mol
- Monoisotopic mass
- 204.12626314
Names & identifiers
- Preferred name
- (Z)-5-(2-(8-azabicyclo[3.2.1]oct-6-yl)ethenyl)isoxazole
- IUPAC
- 5-[(Z)-2-(8-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1,2-oxazole
Names & synonyms
SCHEMBL5847837XPNFDYBKKBHNPA-PLNGDYQASA-N(Z)-5-(2-(8-azabicyclo[3.2.1]oct-6-yl)ethenyl)isoxazole
Database identifiers
- PubChem CID
- 69588569
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Related reactions
2 records
Compound notes
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