1-(3,4-dihydroisoquinolin-2(1H)-yl)prop-2-yn-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)prop-2-yn-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)prop-2-yn-1-one
Compound characteristics
| Compound ID: | T001-2199 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)prop-2-yn-1-one |
| Molecular Weight: | 185.22 |
| Molecular Formula: | C12 H11 N O |
| Smiles: | C#CC(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7958 |
| logD: | 1.7958 |
| logSw: | -2.0507 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 16.2927 |
| InChI Key: | KWFAQJMJQMUQOX-UHFFFAOYSA-N |