Basic information
- CAS
17380-23-3- Standard SMILES
N#Cc1ccc2[nH]cc(C(=O)Cc3ccccc3)c2c1- InChIKey
CQBGCMKFYSUZPJ-UHFFFAOYSA-N- Molecular formula
- C17H12N2O
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.09496301
Names & identifiers
- Preferred name
- Indole-5-carbonitrile, 3-(phenylacetyl)-
- IUPAC
- 3-(2-phenylacetyl)-1H-indole-5-carbonitrile
Names & synonyms
5-Cyano-3-(phenylacetyl) indoleINDOLE-5-CARBONITRILE, 3-(PHENYLACETYL)-3-(Phenylacetyl)indole-5-carbonitrile17380-23-3DTXSID40169665RefChem:349346DTXCID60921563-(Phenylacetyl)-1H-indole-5-carbonitrile
Database identifiers
- CAS
17380-23-3- PubChem CID
- 28508
- DTXSID
DTXSID40169665
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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