2,3-Diazabicyclo(2.2.2)oct-2-ene | SBID = 231 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 62
PubChem TPSA/Å2: 24.7
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 1.3
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 86.1
Sum Formula: C6H10N2
M / g/mol: 110.16
Complexity: 97.0
Number of Conformers: 1.0

Identifiers

  • Tags: typical guest, dye
  • Name: 2,3-Diazabicyclo(2.2.2)oct-2-ene
  • Preferred Abbreviation: 2,3-Diazabicyclo(2.2.2)oct-2-ene
  • IUPAC Name: 2,3-diazabicyclo[2.2.2]oct-2-ene
  • CAS: 3310-62-1
  • CID: 137888
  • InChiKey: JOHCCHGNXMXHPU-UHFFFAOYSA-N
  • InChi: InChI=1S/C6H10N2/c1-2-6-4-3-5(1)7-8-6/h5-6H,1-4H2
  • CanoSmiles: C1CC2CCC1N=N2
  • IsoSmiles: C1CC2CCC1N=N2