Molecule ID: 5282247

IUPAC Name: (2S,6R,10S,11S)-11-[(E)-but-1-en-3-ynyl]-2-[(E)-pent-2-en-4-ynyl]-1-azaspiro[5.5]undecan-10-ol

Description: The molecule is an azaspiro compound that is 1-azaspiro[5.5]undecane substituted by a hydroxy group at position 8, a but-1-en-3-yn-1-yl group at position 7 and a pent-3-en-1-yn-5-yl group at position 2 (the 2S,6R,7S,8S stereoisomer). It has a role as a metabolite. It is an azaspiro compound, a secondary alcohol and a terminal acetylenic compound.

SMILES: C#C/C=C/C[C@@H]1CCC[C@]2(CCC[C@H](O)[C@H]2/C=C/C#C)N1

SELFIES: [C][#C][/C][=C][/C][C@@H1][C][C][C][C@][Branch1][#C][C][C][C][C@H1][Branch1][C][O][C@H1][Ring1][#Branch1][/C][=C][/C][#C][N][Ring1][S]

InChI: InChI=1S/C19H25NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h1-2,5-7,12,16-18,20-21H,8-11,13-15H2/b7-5+,12-6+/t16-,17-,18+,19-/m1/s1

Molecular Properties:
- Polar Surface Area: 32.299 Ų
- LogP: 3.1