Molecule ID: 1774

IUPAC Name: 2,2-dimethyl-1-oxido-3,4-dihydropyrrol-1-ium

Description: The molecule is a member of the class of 1-pyrroline nitrones (1-pyrroline N-oxides) resulting from the formal N-oxidation of 5,5-dimethyl-1-pyrroline. Used as a spin trap for the study of radicals formed by enzymatic acetaldehyde oxidation. It has a role as a neuroprotective agent and a spin trapping reagent.

SMILES: CC1(C)CCC=[N+]1[O-]

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

InChI: InChI=1S/C6H11NO/c1-6(2)4-3-5-7(6)8/h5H,3-4H2,1-2H3

Molecular Properties:
- Polar Surface Area: 28.8 Ų
- LogP: -0.3