3-[(2H-1,3-benzodioxol-5-yl)amino]-5,5-dimethylcyclohex-2-en-1-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)amino]-5,5-dimethylcyclohex-2-en-1-one
3-[(2H-1,3-benzodioxol-5-yl)amino]-5,5-dimethylcyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8009-2932 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)amino]-5,5-dimethylcyclohex-2-en-1-one |
| Molecular Weight: | 259.3 |
| Molecular Formula: | C15 H17 N O3 |
| Smiles: | CC1(C)CC(=CC(C1)=O)Nc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.8411 |
| logD: | 2.7605 |
| logSw: | -3.2569 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.381 |
| InChI Key: | NLZDSJVFDCVUPG-UHFFFAOYSA-N |