Molecule ID: 145712526

IUPAC Name: (8aS)-3-(1H-indol-3-ylmethyl)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one

Description: The molecule is a member of the class of indoles that is 1H-indole substituted by a [(8aS)-1-oxo-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl group at position 3. It is a member of indoles and a pyrrolopyrazine.

SMILES: OC1=NC(Cc2c[nH]c3ccccc23)=CN2CCC[C@@H]12

SELFIES: [O][C][=N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][N][C][C][C][C@@H1][Ring2][Ring1][Ring1][Ring1][Branch1]

InChI: InChI=1S/C16H17N3O/c20-16-15-6-3-7-19(15)10-12(18-16)8-11-9-17-14-5-2-1-4-13(11)14/h1-2,4-5,9-10,15,17H,3,6-8H2,(H,18,20)/t15-/m0/s1

Molecular Properties:
- Polar Surface Area: 48.1 Ų
- LogP: 2.2