3-Benzyl-1,3-dihydroindol-2-one
Basic information
- CAS
7511-08-2- Standard SMILES
O=C1Nc2ccccc2C1Cc1ccccc1- InChIKey
SJEHQYIHAFTLMS-UHFFFAOYSA-N- Molecular formula
- C15H13NO
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.09971404
Names & identifiers
- Preferred name
- 3-Benzyl-1,3-dihydroindol-2-one
- IUPAC
- 3-benzyl-1,3-dihydroindol-2-one
- English name
- 3-benzyl-1,3-dihydroindol-2-one
- Molecular formula
- C15H13NO
- Molecular weight
- 223.27
Names & synonyms
3-benzyl-1,3-dihydroindol-2-one7511-08-2DTXSID20324174RefChem:276975DTXCID002752913-Benzylindolin-2-one3-benzyl-2,3-dihydro-1H-indol-2-one1,3-Dihydro-3-(phenylmethyl)-2H-indol-2-one3-benzyl-1,3-dihydro-2H-indol-2-one3-BenzyloxindoleNSC405962Maybridge3_002827
Show more names
2H-Indol-2-one, 1,3-dihydro-3-(phenylmethyl)-
MLS000858738SCHEMBL7825637CHEMBL1370026SJEHQYIHAFTLMS-UHFFFAOYSA-NHMS1439A11HMS2792M12AS-0338NSC-405962
Database identifiers
- CAS
7511-08-2- PubChem CID
- 347328
- DTXSID
DTXSID20324174- ChEMBL
CHEMBL1370026- Nikkaji
- J1.586.084G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Experimental & physicochemical properties
Solubility29 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
4 records
Compound notes
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