methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1,2-dimethyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1,2-dimethyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1,2-dimethyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5283-0131 |
| Compound Name: | methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1,2-dimethyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 301.3 |
| Molecular Formula: | C16 H15 N O5 |
| Smiles: | CC1=C(/C(=C/c2ccc3c(c2)OCO3)C(N1C)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.9026 |
| logD: | 1.9026 |
| logSw: | -2.3936 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.263 |
| InChI Key: | WXBIQDUBLSNKEE-UHFFFAOYSA-N |