Molecule ID: 145712527

IUPAC Name: (8aS)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-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 3-methylbut-1-en-3-yl group at position 2 and 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: C=CC(C)(C)c1[nH]c2ccccc2c1CC1=CN2CCC[C@H]2C(O)=N1

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

InChI: InChI=1S/C21H25N3O/c1-4-21(2,3)19-16(15-8-5-6-9-17(15)23-19)12-14-13-24-11-7-10-18(24)20(25)22-14/h4-6,8-9,13,18,23H,1,7,10-12H2,2-3H3,(H,22,25)/t18-/m0/s1

Molecular Properties:
- Polar Surface Area: 48.1 Ų
- LogP: 4.2