Basic information
- Standard SMILES
Cc1cccc(C2C(=O)NC(C)(C)C2=O)c1- InChIKey
YXZYYIIDVRVVJO-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Names & identifiers
- Preferred name
- 5,5-Dimethyl-3-(3-methylphenyl)pyrrolidine-2,4-dione
- IUPAC
- 5,5-dimethyl-3-(3-methylphenyl)pyrrolidine-2,4-dione
Names & synonyms
SCHEMBL11025101YXZYYIIDVRVVJO-UHFFFAOYSA-N5,5-dimethyl-3-(3-methylphenyl)pyrrolidine-2,4-dione
Database identifiers
- PubChem CID
- 70496232
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 322
Related reactions
2 records
Compound notes
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