2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
3-hydroxy-2-[1H-indol-3-yl(pyridin-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one
Also Known As: Oprea1_501578|IFLab1_004957|J3.261.691G|F1217-0050|AF-399/41378434|SR-01000116015-1|2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone|3-hydroxy-2-[(1H-indol-3-yl)(pyridin-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one|3-hydroxy-2-[1H-indol-3-yl(pyridin-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one|3-hydroxy-2-(indol-3-yl-2-pyridylmethyl)-5,5-dimethylcyclohex-2-en-1-one|2-[1H-Indole-3-yl(2-pyridinyl)methyl]-3-hydroxy-5,5-dimethyl-2-cyclohexene-1-one|3-hydroxy-2-[(3-indolyl)(2-pyridyl)methyl]-5,5-dimethyl-2-cyclohexen-1-one
| Molecular Formula | C22H22N2O2 |
|---|---|
| Molecular Weight | 346.16812 g/mol |
| LogP | 4.896 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.16812 |
| Monoisotopic Mass | 346.16812 |
| Heavy Atoms | 26 |
| Complexity | 999.1689 |
Chemical Identifiers
| CAS Number | 537010-97-2 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C(C2=CC=CC=N2)C3=CNC4=CC=CC=C43)O)C |
Product Overview
2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone (CAS 537010-97-2), with molecular formula C22H22N2O2 and molecular weight 346.16812 g/mol. IUPAC: 3-hydroxy-2-[1H-indol-3-yl(pyridin-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one.