4-{3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile
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Basic information
- CAS
797813-24-2- Standard SMILES
Cc1ccc(C(=O)CC2(O)C(=O)N(CCCC#N)c3ccccc32)cc1- InChIKey
CCDRWGDFJKWCPL-UHFFFAOYSA-N- Molecular formula
- C21H20N2O3
- Average molar mass
- 348.4 g/mol
Names & identifiers
- Preferred name
- 4-{3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile
- IUPAC
- 4-[3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-oxoindol-1-yl]butanenitrile
- English name
- 4-{3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile
- Molecular formula
- C21H20N2O3
- Molecular weight
- 348.4
Names & synonyms
4-{3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrileSTK214313AKOS000542629AKOS0220038154-[3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-oxoindol-1-yl]butanenitrileEU-0046990ST50020238AK-778/411824624-{3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-oxoindolinyl}butanenitrile1H-Indole-1-butanenitrile, 2,3-dihydro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-oxo-
Database identifiers
- CAS
797813-24-2
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 587
Physicochemical properties
- Boiling point
- 659.3 · 659.3±55.0 °C(Predicted)
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- pka
- 10.94 · 10.94±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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