5,6-Dehydrolupanine
(1R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one
Also Known As: 5,6-Dehydrolupanine|5,6-dehydro-lupanine|5,6-Didehydrospartein-2-one|Lupanine, 5,6-didehydro-|7alpha-5,6-Didehydrospartein-2-one|2-methyl-4-carbomethoxytetrahydrofuran-3-one|(1R,9S,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one|7,15-diazatetracyclo(7.7.1.02,7.010,15)heptadec-2-en-6-one|7,14-Methano-4H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-4-one, 2,3,7,7a,8,9,10,11,13,14-decahydro-, (7S-(7alpha,7abeta,14alpha))-|7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, 2,3,7,7a,8,9,10,11,13,14-decahydro-, [7S-(7.alpha.,7a.beta.,14.alpha.)]-
| Molecular Formula | C15H22N2O |
|---|---|
| Molecular Weight | 246.17322 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.17322 |
| Monoisotopic Mass | 246.17322 |
| Heavy Atoms | 18 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 32101-29-4 |
|---|---|
| SMILES | C1CCN2C[C@H]3C[C@H]([C@@H]2C1)CN4C3=CCCC4=O |
| InChIKey | GSQQGCZVTAUICD-AGIUHOORSA-N |
Product Overview
5,6-Dehydrolupanine (CAS 32101-29-4), with molecular formula C15H22N2O and molecular weight 246.17322 g/mol. IUPAC: (1R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one.