Adamantane-1-carbonitrile | SBID = 1079 | Compound |
Structure
Molecular Properties
| Interactions: | 5 | ||
| PubChem TPSA/Å2: | 23.8 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.6 | ||
| 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: | 124.7 | ||
| Sum Formula: | C11H15N | ||
| M / g/mol: | 161.24 | ||
| Complexity: | 216.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: Adamantane-1-carbonitrile
- Preferred Abbreviation: Adamantane-1-carbonitrile
- IUPAC Name: adamantane-1-carbonitrile
- CAS: 23074-42-2
- CID: 90878
- InChiKey: FQFZASRJFRAEIH-UHFFFAOYSA-N
- InChi: InChI=1S/C11H15N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2
- CanoSmiles: C1C2CC3CC1CC(C2)(C3)C#N
- IsoSmiles: C1C2CC3CC1CC(C2)(C3)C#N
