Basic information
- Standard SMILES
O=C1CCC(c2ccccc2)(c2ccccc2)C2CNCC12- InChIKey
WYBVWRBMKAWGRK-UHFFFAOYSA-N- Molecular formula
- C20H21NO
- Average molar mass
- 291.4 g/mol
Names & identifiers
- Preferred name
- (3aRS,7aRS)-7,7-Diphenylperhydro-4-isoindolone
- IUPAC
- 7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindol-4-one
Names & synonyms
SCHEMBL9343285WYBVWRBMKAWGRK-UHFFFAOYSA-NAKOS005067483(3aRS,7aRS)-7,7-diphenyl-4-perhydroisoindolone(3aRS,7aRS)-7,7-Diphenylperhydro-4-isoindoloneL005323
Database identifiers
- PubChem CID
- 21264544
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 388
Related reactions
34 records
Compound notes
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