methyl 4-[(3-chlorophenyl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(3-chlorophenyl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-[(3-chlorophenyl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-0158 |
| Compound Name: | methyl 4-[(3-chlorophenyl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 317.77 |
| Molecular Formula: | C17 H16 Cl N O3 |
| Smiles: | CC1=C(/C(=C/c2cccc(c2)[Cl])C(N1CC=C)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2685 |
| logD: | 3.2685 |
| logSw: | -3.475 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.36 |
| InChI Key: | FDCFEAUUNGXNFZ-UHFFFAOYSA-N |