5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester
diethyl 5-(hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: Pyrrole Analogue 3|NCGC00246716-01|J2.204.835J|5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester|diethyl 5-(hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate|3,5-bisethoxycarbonyl-2-hydroxymethyl-4-methylpyrrole|1H-Pyrrole-2, 5-(hydroxymethyl)-3-methyl-, diethyl ester|2,4-diethyl 5-(hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate|1H-Pyrrole-2,4-dicarboxylic acid, 5-(hydroxymethyl)-3-methyl-, diethyl ester|3-Methyl-5-(hydroxymethyl)-1H-pyrrole-2,4-dicarboxylic acid diethyl ester|1H-Pyrrole-2,4-dicarboxylic acid, 5- (hydroxymethyl)-3-methyl-, diethyl ester
| Molecular Formula | C12H17NO5 |
|---|---|
| Molecular Weight | 255.11067 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 255.11067 |
| Monoisotopic Mass | 255.11067 |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 5422-89-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CO |
| InChIKey | MJDIWVWPQXHGAJ-UHFFFAOYSA-N |
Product Overview
5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester (CAS 5422-89-9), with molecular formula C12H17NO5 and molecular weight 255.11067 g/mol. IUPAC: diethyl 5-(hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate.