HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 4-[[4-(dimethylamino)phenyl]methylidene]-1-(2-methoxyethyl)-2-methyl-5-oxopyrrole-3-carboxylate
ethyl 4-[4-(dimethylamino)benzylidene]-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate · ethyl (4Z)-4-[4-(dimethylamino)benzylidene]-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate · 1H-Pyrrole-3-carboxylic acid, 4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-1-(2-methoxyethyl)-2-methyl-5-oxo-, ethyl ester
![Ethyl 4-[[4-(dimethylamino)phenyl]methylidene]-1-(2-methoxyethyl)-2-methyl-5-oxopyrrole-3-carboxylate molecular structure](/img/chemical/178819860.png)
Identifiers & Physical Properties
| CAS No. | 371209-78-8 |
|---|---|
| Molecular formula | C20H26N2O4 |
| Average molar mass | 358.4 g/mol |
| SMILES | CCOC(=O)C1=C(C)N(CCOC)C(=O)C1=Cc1ccc(N(C)C)cc1 |
| InChIKey | UQPKUFIQGLBPFN-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 59.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 8 |
| Heavy atoms | 26 |
| Formal charge | 0 |
| Complexity | 587 |
| Boiling point | 541.1±50.0 °C(Predicted) |
| Density | 1.171±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 4.47±0.24(Predicted) |