ethyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | 0080-0017 |
| Compound Name: | ethyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 253.3 |
| Molecular Formula: | C13 H19 N O4 |
| Smiles: | CCOC(c1c(C)c(CCC(=O)OC)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2969 |
| logD: | 2.2969 |
| logSw: | -2.0244 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.552 |
| InChI Key: | KKBICYRCYZAPRF-UHFFFAOYSA-N |