(3Z)-5,7-dimethyl-3-phenacylidene-1H-indol-2-one
Basic information
- CAS
70452-33-4- Standard SMILES
Cc1cc(C)c2c(c1)/C(=C/C(=O)c1ccccc1)C(=O)N2- InChIKey
ZEUQWGKSPURZFI-GDNBJRDFSA-N- Molecular formula
- C18H15NO2
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.11027872
Names & identifiers
- Preferred name
- (3Z)-5,7-dimethyl-3-phenacylidene-1H-indol-2-one
- IUPAC
- (3Z)-5,7-dimethyl-3-phenacylidene-1H-indol-2-one
Names & synonyms
NSC29496270452-33-4DTXSID00420421NSC-294962(3Z)-5,7-Dimethyl-3-(2-oxo-2-phenylethylidene)-1,3-dihydro-2H-indol-2-one
Database identifiers
- CAS
70452-33-4- PubChem CID
- 5477133
- DTXSID
DTXSID00420421
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 462
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