Indole-5-carbonitrile, 3-benzoyl-
Basic information
- CAS
17380-22-2- Standard SMILES
N#Cc1ccc2[nH]cc(C(=O)c3ccccc3)c2c1- InChIKey
VDSVHHGVSMIFOY-UHFFFAOYSA-N- Molecular formula
- C16H10N2O
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.07931295
Names & identifiers
- Preferred name
- Indole-5-carbonitrile, 3-benzoyl-
- IUPAC
- 3-benzoyl-1H-indole-5-carbonitrile
Names & synonyms
5-Cyanoindolyl-3-phenylketoneINDOLE-5-CARBONITRILE, 3-BENZOYL-3-Benzoylindole-5-carbonitrile17380-22-2DTXSID80169664RefChem:349348DTXCID10921553-benzoyl-1H-indole-5-carbonitrile
Database identifiers
- CAS
17380-22-2- PubChem CID
- 28507
- DTXSID
DTXSID80169664
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…