methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4257-3970 |
| Compound Name: | methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 327.33 |
| Molecular Formula: | C18 H17 N O5 |
| Smiles: | CC1=C(/C(=C/c2ccc3c(c2)OCO3)C(N1CC=C)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.6264 |
| logD: | 2.6264 |
| logSw: | -2.9397 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.476 |
| InChI Key: | QICQYDHYBAJOBF-UHFFFAOYSA-N |