4-hydroxy-6-methyl-3-[3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoyl]-2H-pyran-2-one
Chemical Structure Depiction of
4-hydroxy-6-methyl-3-[3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoyl]-2H-pyran-2-one
4-hydroxy-6-methyl-3-[3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoyl]-2H-pyran-2-one
Compound characteristics
| Compound ID: | Y501-5839 |
| Compound Name: | 4-hydroxy-6-methyl-3-[3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoyl]-2H-pyran-2-one |
| Molecular Weight: | 259.26 |
| Molecular Formula: | C14 H13 N O4 |
| Smiles: | CC1=CC(=C(C(/C=C/c2cccn2C)=O)C(=O)O1)O |
| Stereo: | ACHIRAL |
| logP: | 1.6651 |
| logD: | -3.6914 |
| logSw: | -1.8559 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.015 |
| InChI Key: | IRBYJAKZFDXBJQ-UHFFFAOYSA-N |