![(1R,4R,5S)-2,4'-dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-3H-pyran]-6'-one structure](/static/products/3348/33486-96-3.webp)
(1R,4R,5S)-2,4'-dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-3H-pyran]-6'-one
2,4'-dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-3H-pyran]-6'-one
Also Known As: Dioscorea dumetorum, alkaloids|NIOSH/JG5786800|2,4'-dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-3H-pyran]-6'-one|(1R,4R,5S)-2,4'-dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-3H-pyran]-6'-one|4',5-dimethylspiro[5-azabicyclo[2.2.2]octane-2,2'-pyran]-6'(3'h)-one|Spiro(2-azabicyclo(2.2.2)octane-5,2'-(2H)pyran)-6'(3'H)-one, 2,4'-dimethyl-, (1R-(1alpha,4alpha,5alpha))-|2,4'-Dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-[2H]pyran]-6'(3'H)-one, 9CI|4',5-DIMETHYL-3',6'-DIHYDRO-5-AZASPIRO[BICYCLO[2.2.2]OCTANE-2,2'-PYRAN]-6'-ONE|Spiro[2-azabicyclo[2.2.2]octane-5, 2,4'-dimethyl-, [1R-(1.alpha.,4.alpha.,5.alpha.)]-|[1R-(1alpha,4alpha,5alpha)]-2,4'-dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-[2H]pyran]-6'(3'H)-one|Spiro[2-azabicyclo[2.2.2]octane-5,2'-[2H]pyran]- 6'(3'H)-one,2,4'-dimethyl-,(1R,4R,5S)-|Spiro[2-azabicyclo[2.2.2]octane-5,2'-[2H]pyran]-6'(3'H)-one, 2,4'-dimethyl-, [1R-(1.alpha.,4.alpha.,5.alpha.)]-
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14159 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.14159 |
| Monoisotopic Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 33486-96-3 |
|---|---|
| SMILES | CC1=CC(=O)OC2(C1)CC3CCC2CN3C |
| InChIKey | YBQKKTNDAXVYGX-UHFFFAOYSA-N |
Product Overview
(1R,4R,5S)-2,4'-dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-3H-pyran]-6'-one (CAS 33486-96-3), with molecular formula C13H19NO2 and molecular weight 221.14159 g/mol. IUPAC: 2,4'-dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-3H-pyran]-6'-one.