1-phenyl-2,3-diazabicyclo[2.2.2]oct-2-ene | SBID = 1744 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| 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: | C12H14N2 | ||
| M / g/mol: | 186.25296 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: 1-phenyl-2,3-diazabicyclo[2.2.2]oct-2-ene
- Preferred Abbreviation: 1-phenyl-2,3-diazabicyclo[2.2.2]oct-2-ene
- IUPAC Name:
- CAS:
- CID: -698
- InChiKey: VYTIFHFARGXYDR-UHFFFAOYSA-N
- InChi: InChI=1S/C12H14N2/c1-2-4-10(5-3-1)12-8-6-11(7-9-12)13-14-12/h1-5,11H,6-9H2
- CanoSmiles: C1CC2(CCC1N=N2)c1ccccc1
- IsoSmiles: C1CC2(CCC1N=N2)C3=CC=CC=C3
