2,3-Diazabicyclo[2.2.1]-hept-2-ene | SBID = 519 | Compound |
Structure
Molecular Properties
| Interactions: | 12 | ||
| PubChem TPSA/Å2: | 24.7 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.9 | ||
| 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: | 78.2 | ||
| Sum Formula: | C5H8N2 | ||
| M / g/mol: | 96.13 | ||
| Complexity: | 96.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: 2,3-Diazabicyclo[2.2.1]-hept-2-ene
- Preferred Abbreviation: 2,3-Diazabicyclo[2.2.1]-hept-2-ene
- IUPAC Name: 2,3-diazabicyclo[2.2.1]hept-2-ene
- CAS: 2721-32-6
- CID: 137694
- InChiKey: IJDUBDHNOXAHCQ-UHFFFAOYSA-N
- InChi: InChI=1S/C5H8N2/c1-2-5-3-4(1)6-7-5/h4-5H,1-3H2
- CanoSmiles: C1CC2CC1N=N2
- IsoSmiles: C1CC2CC1N=N2
