3-(5-Methyl-3-phenyl-1H-indol-1-yl)propanenitrile
Basic information
- CAS
101205-17-8- Standard SMILES
Cc1ccc2c(c1)c(-c1ccccc1)cn2CCC#N- InChIKey
XZJXNULOAZCVAY-UHFFFAOYSA-N- Molecular formula
- C18H16N2
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.13134852
Names & identifiers
- Preferred name
- 3-(5-Methyl-3-phenyl-1H-indol-1-yl)propanenitrile
- IUPAC
- 3-(5-methyl-3-phenylindol-1-yl)propanenitrile
Names & synonyms
101205-17-81H-Indole-1-propanenitrile, 5-methyl-3-phenyl-3-(5-Methyl-3-phenyl-1H-indol-1-yl)propanenitrileDTXSID80568779
Database identifiers
- CAS
101205-17-8- PubChem CID
- 15134109
- DTXSID
DTXSID80568779
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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