Basic information
- CAS
5790-05-6- Standard SMILES
COc1ccc(C2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2C)c(OC)c1- InChIKey
YKMCNGOABYOVMR-HTXNQAPBSA-N- Molecular formula
- C21H21NO5
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.14197277
Names & identifiers
- Preferred name
- (4E)-5-(2,4-dimethoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-methylpyrrolidine-2,3-dione
- IUPAC
- (4E)-5-(2,4-dimethoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-methylpyrrolidine-2,3-dione
Names & synonyms
5790-05-6(4E)-5-(2,4-dimethoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-methylpyrrolidine-2,3-dione5-(2,4-dimethoxyphenyl)-3-hydroxy-1-methyl-4-[(4-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one5-(2,4-dimethoxyphenyl)-3-hydroxy-1-methyl-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-oneAC1NSNKPCHEMBL1328769DTXSID90416651STL328459AKOS000564580AKOS022129709AB00096999-01(4E)-5-(2,4-Dimethoxyphenyl)-4-[hydroxy(4-methylphenyl)methylidene]-1-methylpyrrolidine-2,3-dione
Show more names
332149-27-6
Database identifiers
- CAS
5790-05-6- PubChem CID
- 5336901
- DTXSID
DTXSID90416651- ChEMBL
CHEMBL1328769
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 608
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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