1-Azabicyclo[2.2.2]octan-3-one, 2-[(2-chlorophenyl)methylene]-, (Z)-
Basic information
- CAS
103660-35-1- Standard SMILES
O=C1/C(=C/c2ccccc2Cl)N2CCC1CC2- InChIKey
WNICXJVIQXXISD-LCYFTJDESA-N- Molecular formula
- C14H14ClNO
- Average molar mass
- 247.72 g/mol
- Monoisotopic mass
- 247.0763918
Names & identifiers
- Preferred name
- 1-Azabicyclo[2.2.2]octan-3-one, 2-[(2-chlorophenyl)methylene]-, (Z)-
- IUPAC
- (2Z)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Names & synonyms
103660-35-11-Azabicyclo[2.2.2]octan-3-one, 2-[(2-chlorophenyl)methylene]-, (Z)-1-Azabicyclo(2.2.2)octan-3-one, 2-((2-chlorophenyl)methylene)-, (Z)-RefChem:227606(2Z)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-oneMLS000692748SCHEMBL8801331CHEMBL1467145DTXSID501159403HMS2750L12STK008428AKOS000575757
Show more names
CCG-241320SMR000285303ST50242106(2Z)-2-(2-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one3-[(2-chlorophenyl)methylene]-4-azabicyclo[2.2.2]octan-2-one2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one--hydrogen chloride (1/1)
Database identifiers
- CAS
103660-35-1- PubChem CID
- 677630
- DTXSID
DTXSID501159403- ChEMBL
CHEMBL1467145
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 344
Experimental & physicochemical properties
Solubility22.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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