1-(2,3-dihydro-1H-indol-1-yl)but-2-yn-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1H-indol-1-yl)but-2-yn-1-one
1-(2,3-dihydro-1H-indol-1-yl)but-2-yn-1-one
Compound characteristics
| Compound ID: | T001-0429 |
| Compound Name: | 1-(2,3-dihydro-1H-indol-1-yl)but-2-yn-1-one |
| Molecular Weight: | 185.22 |
| Molecular Formula: | C12 H11 N O |
| Smiles: | CC#CC(N1CCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4357 |
| logD: | 2.4357 |
| logSw: | -2.3198 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 15.6614 |
| InChI Key: | NSBLRGZJSVTIPT-UHFFFAOYSA-N |