1-acetamidonaphthalene | SBID = 1597 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 29.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.6 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| 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: | 151.9 | ||
| Sum Formula: | C12H11NO | ||
| M / g/mol: | 185.22 | ||
| Complexity: | 214.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags:
- Name: 1-acetamidonaphthalene
- Preferred Abbreviation: 1-Acetamidonaphthalene
- IUPAC Name: N-naphthalen-1-ylacetamide
- CAS: 575-36-0
- CID: 68461
- InChiKey: OKQIEBVRUGLWOR-UHFFFAOYSA-N
- InChi: InChI=1S/C12H11NO/c1-9(14)13-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,13,14)
- CanoSmiles: CC(=O)NC1=CC=CC2=CC=CC=C21
- IsoSmiles: CC(=O)NC1=CC=CC2=CC=CC=C21
