(S)-3-hydroxy-1,1-dimethylpyrrolidin-1-ium | SBID = 2430 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 20.23
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): -0.21
Charge: 1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C6H14NO+
M / g/mol: 116.18146
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: (S)-3-hydroxy-1,1-dimethylpyrrolidin-1-ium
  • Preferred Abbreviation: (S)-3-hydroxy-1,1-dimethylpyrrolidin-1-ium
  • IUPAC Name:
  • CAS:
  • CID: -1031
  • InChiKey: MEVUZDYUPLLRPS-UHFFFAOYSA-N
  • InChi: InChI=1S/C6H14NO/c1-7(2)4-3-6(8)5-7/h6,8H,3-5H2,1-2H3/q+1
  • CanoSmiles: O[C@H]1CC[N+](C1)(C)C
  • IsoSmiles: C[N+]1(C)C[C@@H](O)CC1