methyl 4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-0348 |
| Compound Name: | methyl 4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 329.35 |
| Molecular Formula: | C18 H19 N O5 |
| Smiles: | CC1=C(/C(=C/c2ccc(c(c2)OC)O)C(N1CC=C)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.9113 |
| logD: | 1.9065 |
| logSw: | -2.1683 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.539 |
| InChI Key: | HRBGWBHQCYXSMT-UHFFFAOYSA-N |