ABP-688 C-11 Z-isomer
Basic information
- CAS
1632324-71-0- Standard SMILES
Cc1cccc(C#CC2=C/C(=N\O[11CH3])CCC2)n1- InChIKey
CNNZLFXCUQLKOB-OWUFSHKGSA-N- Molecular formula
- C15H16N2O
- Average molar mass
- 239.3 g/mol
- Monoisotopic mass
- 239.1376957
Names & identifiers
- Preferred name
- ABP-688 C-11 Z-isomer
- IUPAC
- (Z)-N-(111C)methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine
Names & synonyms
ABP-688 C-11 Z-isomerH29HO637KXUNII-H29HO637KX1632324-71-02-Cyclohexen-1-one, 3-(2-(6-methyl-2-pyridinyl)ethynyl)-, O-(methyl-11C)oxime, (1Z)-CHEMBL2164790
Database identifiers
- CAS
1632324-71-0- PubChem CID
- 6540309
- ChEMBL
CHEMBL2164790- UNII
- H29HO637KX
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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