Basic information
- CAS
57411-97-9- Standard SMILES
Cc1c(CC#N)cc(C)c2c3c([nH]c12)CCCC3- InChIKey
PJZOTERQAQPOOR-UHFFFAOYSA-N- Molecular formula
- C16H18N2
- Average molar mass
- 238.33 g/mol
- Monoisotopic mass
- 238.14699858
Names & identifiers
- Preferred name
- (5,8-Dimethyl-2,3,4,9-tetrahydro-1h-carbazol-7-yl)acetonitrile
- IUPAC
- 2-(1,4-dimethyl-6,7,8,9-tetrahydro-5H-carbazol-2-yl)acetonitrile
Names & synonyms
NSC8922457411-97-9(5,8-dimethyl-2,3,4,9-tetrahydro-1h-carbazol-7-yl)acetonitrileDTXSID00293399NSC-89224
Database identifiers
- CAS
57411-97-9- PubChem CID
- 259348
- DTXSID
DTXSID00293399
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 39.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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