Basic information
- Standard SMILES
CC1(C)C(=O)Nc2ccc(-c3ccc(C#N)o3)cc21- InChIKey
BUXYCUQEVMRJHM-UHFFFAOYSA-N- Molecular formula
- C15H12N2O2
- Average molar mass
- 252.27 g/mol
Names & identifiers
- Preferred name
- 5-(3,3-Dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)furan-2-carbonitrile
- IUPAC
- 5-(3,3-dimethyl-2-oxo-1H-indol-5-yl)furan-2-carbonitrile
Names & synonyms
SCHEMBL3524719BUXYCUQEVMRJHM-UHFFFAOYSA-N5-(3,3-Dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-furan -2-carbonitrile5-(3,3-Dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-furan-2-carbonitrile5-(3,3-Dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)furan-2-carbonitrile5-(3.3-Dimethy1-2-oxo-2,3-dihydro-1H-indol-5-yl)-furan-2-carbonitrile5-(3.3-Dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-furan-2-carbonitrile
Database identifiers
- PubChem CID
- 22019342
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 437
Related reactions
7 records
Compound notes
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