propyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Chemical Structure Depiction of
propyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
propyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Compound characteristics
| Compound ID: | C276-0171 |
| Compound Name: | propyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate |
| Molecular Weight: | 263.33 |
| Molecular Formula: | C15 H21 N O3 |
| Smiles: | CCCOC(c1c(C)c2C(CC(C)(C)Cc2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7587 |
| logD: | 2.7587 |
| logSw: | -2.7111 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.36 |
| InChI Key: | ZCIYHFDGLHMMNZ-UHFFFAOYSA-N |