Molecule ID: 11127215

IUPAC Name: methyl (1R,2R,5S)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate

Description: The molecule is the methyl ester of (1R,2R,5S)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylic acid (ecgonone). It is a tropane alkaloid, a cyclic ketone, a methyl ester, an organic heterobicyclic compound and a tertiary amino compound. It is a conjugate base of an ecgononium methyl ester(1+).

SMILES: COC(=O)[C@H]1C(=O)C[C@@H]2CC[C@H]1N2C

SELFIES: [C][O][C][=Branch1][C][=O][C@H1][C][=Branch1][C][=O][C][C@@H1][C][C][C@H1][Ring1][Branch2][N][Ring1][Branch1][C]

InChI: InChI=1S/C10H15NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-7,9H,3-5H2,1-2H3/t6-,7+,9+/m0/s1

Molecular Properties:
- Polar Surface Area: 46.6 Ų
- LogP: 0.5