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