N-Allylnorcocaine
Basic information
- CAS
66964-29-2- Standard SMILES
C=CCN1C2CC[C@@H]1C(C(=O)OC)C(OC(=O)c1ccccc1)C2- InChIKey
OLKZDWYIZCZYLB-ZKDDFBJFSA-N- Molecular formula
- C19H23NO4
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.16270821
Overview
RN given refers to (1R-(exo,exo))-isomer
Names & identifiers
- Preferred name
- N-Allylnorcocaine
- IUPAC
- methyl (1R)-3-benzoyloxy-8-prop-2-enyl-8-azabicyclo[3.2.1]octane-2-carboxylate
- English name
- N-allylnorcocaine
- Molecular formula
- C19H23NO4
- Molecular weight
- 329.39
Names & synonyms
N-Allylnorcocaine66964-29-2RefChem:162848DTXSID50985696methyl (1R)-3-benzoyloxy-8-prop-2-enyl-8-azabicyclo[3.2.1]octane-2-carboxylatemethyl (1R)-3-(benzoyloxy)-8-(prop-2-en-1-yl)-8-azabicyclo[3.2.1]octane-2-carboxylateMethyl 3-(benzoyloxy)-8-(prop-2-en-1-yl)-8-azabicyclo[3.2.1]octane-2-carboxylate8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-(2-propenyl)-, methyl ester, (1R-(exo,exo))-8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-(2-propenyl)-, methyl ester, [1R-(exo,exo)]- (9CI)
Database identifiers
- CAS
66964-29-2- PubChem CID
- 128745
- DTXSID
DTXSID50985696
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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