methyl 2-methyl-4-[(3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-4-[(3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 2-methyl-4-[(3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-0387 |
| Compound Name: | methyl 2-methyl-4-[(3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 288.26 |
| Molecular Formula: | C14 H12 N2 O5 |
| Smiles: | CC1=C(/C(=C/c2cccc(c2)[N+]([O-])=O)C(N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.8547 |
| logD: | 1.6398 |
| logSw: | -2.4355 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.417 |
| InChI Key: | VKBXHTJCLINYGS-UHFFFAOYSA-N |