ethyl 4-acetyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-acetyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylate
ethyl 4-acetyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | 0080-0057 |
| Compound Name: | ethyl 4-acetyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 223.23 |
| Molecular Formula: | C11 H13 N O4 |
| Smiles: | CCOC(c1c(C)c(C(C)=O)c(C=O)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0652 |
| logD: | 1.0651 |
| logSw: | -1.1729 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.648 |
| InChI Key: | HISIVGZFOPLTBH-UHFFFAOYSA-N |