methyl 4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 8008-2451 |
| Compound Name: | methyl 4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 277.7 |
| Molecular Formula: | C14 H12 Cl N O3 |
| Smiles: | CC1=C(/C(=C/c2ccc(cc2)[Cl])C(N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.6411 |
| logD: | 2.4262 |
| logSw: | -3.6063 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.036 |
| InChI Key: | XWEGQRIGGWMDJQ-UHFFFAOYSA-N |