Basic information
- CAS
182198-93-2- Standard SMILES
Cc1cc(/C=C2\CN3CCC2CC3)on1- InChIKey
WJMKWBQPBBUJHD-YRNVUSSQSA-N- Molecular formula
- C12H16N2O
- Average molar mass
- 204.27 g/mol
- Monoisotopic mass
- 204.12626314
Names & identifiers
- Preferred name
- 3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[2.2.2]octane
- IUPAC
- 5-[(Z)-1-azabicyclo[2.2.2]octan-3-ylidenemethyl]-3-methyl-1,2-oxazole
Names & synonyms
CHEMBL584163-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[2.2.2]octaneSCHEMBL8842325DTXSID301163048BDBM50081733(3Z)-3-[(3-methyl-1,2-oxazol-5-yl)methylidene]-1-azabicyclo[2.2.2]octane182198-93-2(3Z)-3-[(3-Methyl-5-isoxazolyl)methylene]-1-azabicyclo[2.2.2]octane3-[1-(3-Methyl-isoxazol-5-yl)-meth-(Z)-ylidene]-1-aza-bicyclo[2.2.2]octane
Database identifiers
- CAS
182198-93-2- PubChem CID
- 10198147
- DTXSID
DTXSID301163048- ChEMBL
CHEMBL58416- Nikkaji
- J1.244.011A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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