2,3-diazabicyclo[3.2.2]non-2-ene | SBID = 1742 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
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):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C7H12N2
M / g/mol: 124.18358
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 2,3-diazabicyclo[3.2.2]non-2-ene
  • Preferred Abbreviation: 2,3-diazabicyclo[3.2.2]non-2-ene
  • IUPAC Name:
  • CAS:
  • CID: -697
  • InChiKey: OJNRZKGCHDYFSR-KNVOCYPGSA-N
  • InChi: InChI=1S/C7H12N2/c1-2-6-4-5-7(3-1)9-8-6/h6-7H,1-5H2/t6-,7+
  • CanoSmiles: [C@@H]1(CCC2)N=N[C@H]2CC1
  • IsoSmiles: [C@H]1(N=N2)CC[C@@H]2CCC1