N-Allylnorcocaine
methyl (1R)-3-benzoyloxy-8-prop-2-enyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: N-Allylnorcocaine|methyl (1R)-3-benzoyloxy-8-prop-2-enyl-8-azabicyclo[3.2.1]octane-2-carboxylate|methyl(1r)-3-(benzoyloxy)-8-(prop-2-en-1-yl)-8-azabicyclo[3.2.1]octane-2-carboxylate|methyl (1R)-3-(benzoyloxy)-8-(prop-2-en-1-yl)-8-azabicyclo[3.2.1]octane-2-carboxylate|methyl (5R)-3-benzoyloxy-8-prop-2-enyl-8-azabicyclo[3.2.1]octane-4-carboxylate|Methyl 3-(benzoyloxy)-8-(prop-2-en-1-yl)-8-azabicyclo[3.2.1]octane-2-carboxylate|8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-(2-propenyl)-, methyl ester, (1R-(exo,exo))-
| Molecular Formula | C19H23NO4 |
|---|---|
| Molecular Weight | 329.16272 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.16272 |
| Monoisotopic Mass | 329.16272 |
| Heavy Atoms | 24 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 7153-67-5 |
|---|---|
| SMILES | COC(=O)C1[C@H]2CCC(N2CC=C)CC1OC(=O)C3=CC=CC=C3 |
| InChIKey | OLKZDWYIZCZYLB-ZKDDFBJFSA-N |
Product Overview
N-Allylnorcocaine (CAS 7153-67-5), with molecular formula C19H23NO4 and molecular weight 329.16272 g/mol. IUPAC: methyl (1R)-3-benzoyloxy-8-prop-2-enyl-8-azabicyclo[3.2.1]octane-2-carboxylate.
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