Basic information
- CAS
65137-65-7- Standard SMILES
O=C1CC2CCC1CC2c1cnc[nH]1- InChIKey
IZPATQGINHUPBE-UHFFFAOYSA-N- Molecular formula
- C11H14N2O
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.11061307
Names & identifiers
- Preferred name
- 5-(1H-imidazol-5-yl)bicyclo[2.2.2]octan-2-one
- IUPAC
- 5-(1H-imidazol-5-yl)bicyclo[2.2.2]octan-2-one
Names & synonyms
65137-65-75-(1H-imidazol-5-yl)bicyclo[2.2.2]octan-2-oneNSC302345DTXSID50330723NSC-302345DS-0059587-(3H-imidazol-4-yl)bicyclo[2.2.2]octan-3-one
Database identifiers
- CAS
65137-65-7- PubChem CID
- 432008
- DTXSID
DTXSID50330723
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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