2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)-
3-[[(6aR,9S)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methylamino]cyclopent-2-en-1-one
Also Known As: 1,6-Dimethyl-8-((2-cyclopentenone)-3-aminomethyl)ergoline|2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)-|3-((((8-beta)-1,6-Dimethylergolin-8-yl)methyl)amino)-2-cyclopenten-1-one|3-{[(1,6-Dimethylergolin-8-yl)methyl]amino}cyclopent-2-en-1-one|3-({[(10xi)-1,6-Dimethylergolin-8beta-yl]methyl}amino)cyclopent-2-en-1-one
| Molecular Formula | C22H27N3O |
|---|---|
| Molecular Weight | 349.21542 g/mol |
| LogP | 2.9747 |
| Topological Polar Surface Area | 37.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.21542 |
| Monoisotopic Mass | 349.21542 |
| Heavy Atoms | 26 |
| Complexity | 909.4933 |
Chemical Identifiers
| CAS Number | 79675-37-9 |
|---|---|
| SMILES | CN1C[C@@H](CC2[C@H]1CC3=CN(C4=CC=CC2=C34)C)CNC5=CC(=O)CC5 |
Product Overview
2-Cyclopenten-1-one, 3-((((8-beta)-1,6-dimethylergolin-8-yl)methyl)amino)- (CAS 79675-37-9), with molecular formula C22H27N3O and molecular weight 349.21542 g/mol. IUPAC: 3-[[(6aR,9S)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methylamino]cyclopent-2-en-1-one.