3'-[(8-Methyl-8-azabicyclo[3.2.1]oct-3-ylidene)methyl]-3-biphenylcarbonitrile
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Basic information
- Standard SMILES
CN1C2CCC1CC(=Cc1cccc(-c3cccc(C#N)c3)c1)C2- InChIKey
SYDUTDTUUPVUGJ-UHFFFAOYSA-N- Molecular formula
- C22H22N2
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.17829871
Names & identifiers
- Preferred name
- 3'-[(8-Methyl-8-azabicyclo[3.2.1]oct-3-ylidene)methyl]-3-biphenylcarbonitrile
- IUPAC
- 3-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)methyl]phenyl]benzonitrile
Names & synonyms
SCHEMBL1362478SYDUTDTUUPVUGJ-UHFFFAOYSA-N3'-[(8-Methyl-8-azabicyclo[3.2.1]oct-3-ylidene)methyl]-3-biphenylcarbonitrile
Database identifiers
- PubChem CID
- 67005671
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 511
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Related reactions
2 records
Compound notes
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