6-methyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole | SBID = 558 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | |||
| Number of H-Bond Acceptors: | |||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C9H13NO | ||
| M / g/mol: | 151.21 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: 6-methyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole
- Preferred Abbreviation: 6-methyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole
- IUPAC Name: 6-methyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole
- CAS:
- CID: -131
- InChiKey: IGGJWDZJSZMEKV-UHFFFAOYSA-N
- InChi: InChI=1S/C9H13NO/c1-8-2-3-9(11-8)6-10-5-7(9)4-8/h2-3,7,10H,4-6H2,1H3
- CanoSmiles: CC12C=CC3(O2)CNCC3C1
- IsoSmiles: CC12C=CC3(O2)CNCC3C1
