5-Methoxyindole | SBID = 393 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 25.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.1 | ||
| 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: | 119.2 | ||
| Sum Formula: | C9H9NO | ||
| M / g/mol: | 147.177 | ||
| Complexity: | 138.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags:
- Name: 5-Methoxyindole
- Preferred Abbreviation: 5-Methoxyindole
- IUPAC Name: 5-methoxy-1H-indole
- CAS: 1006-94-6
- CID: 13872
- InChiKey: DWAQDRSOVMLGRQ-UHFFFAOYSA-N
- InChi: InChI=1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
- CanoSmiles: COC1=CC2=C(C=C1)NC=C2
- IsoSmiles: COC1=CC2=C(C=C1)NC=C2
