Quinuclidine | SBID = 1125 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 3.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 87.0 | ||
| Sum Formula: | C7H13N | ||
| M / g/mol: | 111.18 | ||
| Complexity: | 71.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: Quinuclidine
- Preferred Abbreviation: Quinuclidine
- IUPAC Name: 1-azabicyclo[2.2.2]octane
- CAS: 100-76-5
- CID: 7527
- InChiKey: SBYHFKPVCBCYGV-UHFFFAOYSA-N
- InChi: InChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2
- CanoSmiles: C1CN2CCC1CC2
- IsoSmiles: C1CN2CCC1CC2
