methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4693-0337 |
| Compound Name: | methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 287.27 |
| Molecular Formula: | C15 H13 N O5 |
| Smiles: | CC1=C(C(/C(=C\c2ccc3c(c2)OCO3)N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.2589 |
| logD: | 2.1684 |
| logSw: | -2.9676 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.6 |
| InChI Key: | SAEMUVGNXWTBHW-UHFFFAOYSA-N |