2,3-diazabicyclo[2.2.2]oct-2-en-2-ium | SBID = 1745 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 1.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C6H11N2+
M / g/mol: 111.16494
Complexity:
Number of Conformers:

Identifiers

  • Tags: charged
  • Name: 2,3-diazabicyclo[2.2.2]oct-2-en-2-ium
  • Preferred Abbreviation: 2,3-diazabicyclo[2.2.2]oct-2-en-2-ium
  • IUPAC Name:
  • CAS:
  • CID: -699
  • InChiKey: JOHCCHGNXMXHPU-UHFFFAOYSA-O
  • InChi: InChI=1S/C6H10N2/c1-2-6-4-3-5(1)7-8-6/h5-6H,1-4H2/p+1
  • CanoSmiles: C12CCC([NH+]=N2)CC1
  • IsoSmiles: C12CCC([NH+]=N2)CC1