9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
PubChem CID: 274439
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 498-45-3, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol, Isoscopine, 1054561-82-8, SCHEMBL1191607, (1alpha,2beta,4beta,5alpha,7beta)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02.4]nonan-7-ol, FIMXSEMBHGTNKT-UHFFFAOYSA-N, AAA49846, AKOS015961980, AB86974, AC-15492, AS-55901, 9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2),?]nonan-7-ol, 9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4J nonan-7-ol, (1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4]nonan-7-ol, (2R,4S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol |
|---|---|
| Topological Polar Surface Area | 36.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 179.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol |
| Prediction Hob | 1.0 |
| Class | Oxazinanes |
| Xlogp | -0.2 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Morpholines |
| Molecular Formula | C8H13NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FIMXSEMBHGTNKT-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 155.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 155.095 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 155.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Esol | -0.6762213999999998 |
| Inchi | InChI=1S/C8H13NO2/c1-9-5-2-4(10)3-6(9)8-7(5)11-8/h4-8,10H,2-3H2,1H3 |
| Smiles | CN1C2CC(CC1C3C2O3)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Morpholines |
- 1. Outgoing r'ship
FOUND_INto/from Anisodus Luridus (Plant) Rel Props:Source_db:cmaup_ingredients