Basic information
- CAS
88653-54-7- Standard SMILES
CC12CCC(C#N)(CC1=O)C2(C)C- InChIKey
SEBZADWFIXJMGC-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo-
- IUPAC
- 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonitrile
Names & synonyms
88653-54-7Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo-4,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonitrileDTXSID40339745SEBZADWFIXJMGC-UHFFFAOYSA-NAKOS0026663834,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonitrile #
Database identifiers
- CAS
88653-54-7- PubChem CID
- 558223
- DTXSID
DTXSID40339745
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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