ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | 0080-0045 |
| Compound Name: | ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 167.2 |
| Molecular Formula: | C9 H13 N O2 |
| Smiles: | CCOC(c1c(C)cc(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9235 |
| logD: | 1.9235 |
| logSw: | -2.1862 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.2031 |
| InChI Key: | IZSBSZYFPYIJDI-UHFFFAOYSA-N |