methyl 2-methyl-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 2-methyl-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4191-0913 |
| Compound Name: | methyl 2-methyl-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 288.26 |
| Molecular Formula: | C14 H12 N2 O5 |
| Smiles: | CC1=C(C(/C(=C\c2ccc(cc2)[N+]([O-])=O)N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.2878 |
| logD: | 2.1215 |
| logSw: | -2.8579 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.866 |
| InChI Key: | KDASGMCGRWDEHN-UHFFFAOYSA-N |