Molecule ID: 6602484

IUPAC Name: (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one

Description: The molecule is an azabicycloalkane alkaloid that is 9-azabicyclo[3.3.1]nonane substituted by a methyl group at position 9 and an oxo group at position 3. It is found in pomegranate trees. It has a role as a plant metabolite. It is an alkaloid, a cyclic ketone, a tertiary amino compound and an azabicycloalkane.

SMILES: CN1[C@@H]2CCC[C@H]1CC(=O)C2

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

InChI: InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3/t7-,8+

Molecular Properties:
- Polar Surface Area: 20.3 Ų
- LogP: 0.7