3-(2H-1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
3-(2H-1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y509-0847 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one |
| Molecular Weight: | 241.24 |
| Molecular Formula: | C14 H11 N O3 |
| Smiles: | C1Oc2ccc(/C=C/C(c3ccc[nH]3)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 3.154 |
| logD: | 3.154 |
| logSw: | -3.1837 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.396 |
| InChI Key: | OTVNXYQKOLOLGW-UHFFFAOYSA-N |