methyl 5-[(4-chlorophenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(4-chlorophenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 5-[(4-chlorophenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4191-0927 |
| Compound Name: | methyl 5-[(4-chlorophenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 277.7 |
| Molecular Formula: | C14 H12 Cl N O3 |
| Smiles: | CC1=C(C(/C(=C\c2ccc(cc2)[Cl])N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9569 |
| logD: | 2.7905 |
| logSw: | -3.7233 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.484 |
| InChI Key: | INYKGKPCOVSCOS-UHFFFAOYSA-N |