ethyl 4-[(2-cyanoethyl)(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[(2-cyanoethyl)(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[(2-cyanoethyl)(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | C722-0052 |
| Compound Name: | ethyl 4-[(2-cyanoethyl)(methyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 277.32 |
| Molecular Formula: | C14 H19 N3 O3 |
| Smiles: | [H]n1c(C)c(C(N(C)CCC#N)=O)c(C)c1C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 0.799 |
| logD: | 0.799 |
| logSw: | -0.8424 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.866 |
| InChI Key: | YVBOUDWPMCLABO-UHFFFAOYSA-N |