Molecule ID: 4659391

IUPAC Name: 5-hex-3-yn-2-yl-1-methyl-2,6-dioxo-5-prop-2-enylpyrimidin-4-olate

Description: The molecule is the cation resulting from the removal of a proton from the N(3) position of methohexital. It is a conjugate base of a methohexital.

SMILES: C=CCC1(C(C)C#CCC)C(=O)N(C)C(=O)N=C1[O-]

SELFIES: [C][=C][C][C][Branch1][=Branch2][C][Branch1][C][C][C][#C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][=C][Ring1][#C][O-1]

InChI: InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)/p-1

Molecular Properties:
- Polar Surface Area: 72.8 Ų
- LogP: 2.8