Basic information
- CAS
1232139-08-0- Standard SMILES
C[C@@H]1C(=O)Nc2ccccc21- InChIKey
BBZCPUCZKLTAJQ-LURJTMIESA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.06841391
Overview
AC1LD0ZL has been reported in Ceratocystis fimbriata with data available.
Names & identifiers
- Preferred name
- (3S)-3-methyl-1,3-dihydroindol-2-one
- IUPAC
- (3S)-3-methyl-1,3-dihydroindol-2-one
Names & synonyms
3-Methyl-2-indolinone, (S)-7F9YKV2UHLUNII-7F9YKV2UHL1232139-08-0(3S)-3-Methyl-2,3-dihydro-1H-indol-2-one1,3-Dihydro-3-methyl-2H-indol-2-one, (3S)-2H-Indol-2-one, 1,3-dihydro-3-methyl-, (3S)-(3S)-3-methyl-1,3-dihydroindol-2-oneDTXSID801345188(3S)-1,3-Dihydro-3-methyl-2H-indol-2-one(3S)-3-Methyl-1,3-dihydro-2H-indol-2-one
Database identifiers
- CAS
1232139-08-0- PubChem CID
- 640571
- DTXSID
DTXSID801345188- UNII
- 7F9YKV2UHL
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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