3-Methyl-4-phenacyl-1-para-tolyl-3-pyrroline-2,5-dione
Basic information
- Standard SMILES
CC1=C(CC(=O)c2ccccc2)C(=O)N(c2ccc(C)cc2)C1=O- InChIKey
FYIZOMRXOHULSH-UHFFFAOYSA-N- Molecular formula
- C20H17NO3
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.1208434
Names & identifiers
- Preferred name
- 3-Methyl-4-phenacyl-1-para-tolyl-3-pyrroline-2,5-dione
- IUPAC
- 3-methyl-1-(4-methylphenyl)-4-phenacylpyrrole-2,5-dione
Names & synonyms
3-METHYL-4-PHENACYL-1-PARA-TOLYL-3-PYRROLINE-2,5-DIONEDTXSID501361989Q63393014
Database identifiers
- PubChem CID
- 13775321
- DTXSID
DTXSID501361989- Nikkaji
- J414.312D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 563
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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