ST053840
1-(4-acetyl-2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
Also Known As: 3,4-diacetyl-2,5-dimethyl-1-phenylpyrrole|1-(4-acetyl-2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone|3,4-diacetyl-2,5-dimethyl-1-phenyl-pyrrole|1-(4-acetyl-2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone|1,1'-(2,5-Dimethyl-1-phenyl-1H-pyrrole-3,4-diyl)diethanone|Ethanone, 1,1'-(2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-diyl)bis-|1,1'-(2,5-Dimethyl-1-phenyl-1H-pyrrole-3,4-diyl)di(ethan-1-one)
| Molecular Formula | C16H17NO2 |
|---|---|
| Molecular Weight | 255.12593 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 39.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.12593 |
| Monoisotopic Mass | 255.12593 |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 54609-79-9 |
|---|---|
| SMILES | CC1=C(C(=C(N1C2=CC=CC=C2)C)C(=O)C)C(=O)C |
| InChIKey | BYOPNNPTZVDQQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ST053840 (CAS 54609-79-9), with molecular formula C16H17NO2 and molecular weight 255.12593 g/mol. IUPAC: 1-(4-acetyl-2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone.
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