methyl 2-methyl-5-[(4-methylphenyl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-5-[(4-methylphenyl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 2-methyl-5-[(4-methylphenyl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4693-0150 |
| Compound Name: | methyl 2-methyl-5-[(4-methylphenyl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 257.29 |
| Molecular Formula: | C15 H15 N O3 |
| Smiles: | CC1=C(C(/C(=C\c2ccc(C)cc2)N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.7855 |
| logD: | 2.6192 |
| logSw: | -3.2935 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.484 |
| InChI Key: | QBYJFVXTBVDGMC-UHFFFAOYSA-N |