ethyl 4-hexanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-hexanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-hexanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | 8006-8030 |
| Compound Name: | ethyl 4-hexanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 265.35 |
| Molecular Formula: | C15 H23 N O3 |
| Smiles: | CCCCCC(c1c(C)c(C(=O)OCC)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7494 |
| logD: | 3.7494 |
| logSw: | -3.8981 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.221 |
| InChI Key: | MERSATHXZPWCDI-UHFFFAOYSA-N |