(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Basic information
- CAS
209863-78-5- Standard SMILES
COc1ccc(/C=C2/C(=O)C3CCN2CC3)c(OC)c1- InChIKey
ANEUDAQYNHNLJI-ZROIWOOFSA-N- Molecular formula
- C16H19NO3
- Average molar mass
- 273.33 g/mol
- Monoisotopic mass
- 273.13649347
Names & identifiers
- Preferred name
- (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
- IUPAC
- (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Names & synonyms
DTXSID601155159(2Z)-2-[(2,4-Dimethoxyphenyl)methylene]-1-azabicyclo[2.2.2]octan-3-one(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-oneAKOS004123052209863-78-5
Database identifiers
- CAS
209863-78-5- PubChem CID
- 799545
- DTXSID
DTXSID601155159
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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