6,7-diazabicyclo(3.2.2)non-6-ene | SBID = 520 | Compound |
Structure
Molecular Properties
| Interactions: | 7 | ||
| PubChem TPSA/Å2: | 24.7 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.7 | ||
| 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): | 2.0 | ||
| 3D Volume/Å3: | 98.7 | ||
| Sum Formula: | C7H12N2 | ||
| M / g/mol: | 124.18 | ||
| Complexity: | 117.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: 6,7-diazabicyclo(3.2.2)non-6-ene
- Preferred Abbreviation: 6,7-diazabicyclo(3.2.2)non-6-ene
- IUPAC Name: 6,7-diazabicyclo[3.2.2]non-6-ene
- CAS: 43195-77-3
- CID: 142658
- InChiKey: OJNRZKGCHDYFSR-UHFFFAOYSA-N
- InChi: InChI=1S/C7H12N2/c1-2-6-4-5-7(3-1)9-8-6/h6-7H,1-5H2
- CanoSmiles: C1CC2CCC(C1)N=N2
- IsoSmiles: C1CC2CCC(C1)N=N2
