methyl 4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
Compound ID: | 8008-4388 |
Compound Name: | methyl 4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
Molecular Weight: | 301.3 |
Molecular Formula: | C16 H15 N O5 |
Smiles: | CC1=C(/C(=C/c2ccc(cc2)C(=O)OC)C(N1)=O)C(=O)OC |
Stereo: | ACHIRAL |
logP: | 2.1371 |
logD: | 1.9222 |
logSw: | -2.7563 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.21 |
InChI Key: | YNIFXUKBFVUFFM-UHFFFAOYSA-N |