3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
Chemical Structure Depiction of
3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | 8019-6688 |
| Compound Name: | 3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one |
| Molecular Weight: | 305.33 |
| Molecular Formula: | C16 H19 N O5 |
| Smiles: | COc1c(/C=C/C(N2CCCC2)=O)cc2c(c1OC)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.2561 |
| logD: | 2.2561 |
| logSw: | -2.6129 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.959 |
| InChI Key: | KEZQPEQTIXBYKJ-UHFFFAOYSA-N |