Basic information
- CAS
58433-00-4- Standard SMILES
N#CC12CCCC3CC(CCC31)C2- InChIKey
NWTMITAOVIRCDG-UHFFFAOYSA-N- Molecular formula
- C12H17N
- Average molar mass
- 175.27 g/mol
- Monoisotopic mass
- 175.13609955
Names & identifiers
- Preferred name
- Octahydro-1,6-methano-naphthalene-1-carbonitrile
- IUPAC
- tricyclo[5.3.1.03,8]undecane-3-carbonitrile
Names & synonyms
Octahydro-1,6-methano-naphthalene-1-carbonitrile58433-00-41,6-Methanonaphthalene-1(2H)-carbonitrile, octahydro-CHEMBL3276696DTXSID50333678Octahydro-1,6-methanonaphthalene-1(2H)-carbonitrile
Database identifiers
- CAS
58433-00-4- PubChem CID
- 516779
- DTXSID
DTXSID50333678- ChEMBL
CHEMBL3276696
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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