Basic information
- Standard SMILES
N#CC1(N2CCC3(CC2)C(=O)NCC3c2ccccc2)CCCCC1- InChIKey
UAUNNFSOBOECBR-UHFFFAOYSA-N- Molecular formula
- C21H27N3O
- Average molar mass
- 337.5 g/mol
Names & identifiers
- Preferred name
- Rac-1-(1-oxo-4-phenyl-2,8-diaza-spiro [4.5]dec-8-yl)-cyclohexanecarbonitrile
- IUPAC
- 1-(1-oxo-4-phenyl-2,8-diazaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile
Names & synonyms
SCHEMBL5556821UAUNNFSOBOECBR-UHFFFAOYSA-Nrac-1-(1-oxo-4-phenyl-2,8-diaza-spiro [4.5]dec-8-yl)-cyclohexanecarbonitrilerac-1-(1-oxo-4-phenyl-2,8-diaza-spiro[4.5]dec-8-yl)-cyclohexanecarbonitrile
Database identifiers
- PubChem CID
- 69486548
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 543
Related reactions
3 records
Compound notes
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