3H-Indol-3-one, 2-[(3,4-dimethoxyphenyl)methylene]-1,2-dihydro-
Basic information
- CAS
96923-50-1- Standard SMILES
COc1ccc(C=C2Nc3ccccc3C2=O)cc1OC- InChIKey
MTTPXBMDKVJFRX-UHFFFAOYSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.10519334
Names & identifiers
- Preferred name
- 3H-Indol-3-one, 2-[(3,4-dimethoxyphenyl)methylene]-1,2-dihydro-
- IUPAC
- 2-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-3-one
Names & synonyms
96923-50-1ZINC000431253H-Indol-3-one, 2-[(3,4-dimethoxyphenyl)methylene]-1,2-dihydro-SCHEMBL5695413DTXSID103855122-[(3,4-Dimethoxyphenyl)methylidene]-1,2-dihydro-3H-indol-3-one
Database identifiers
- CAS
96923-50-1- PubChem CID
- 2837592
- DTXSID
DTXSID10385512
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 420
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Compound notes
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