Hexahydro-1H-3,7-methanopyrrolo[1,2-c][1,3]oxazine
PubChem CID: 86063784
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| Compound Synonyms | Cyclotropine, YMPUMGQNTHXZLD-UHFFFAOYSA-N, Hexahydro-1H-3,7-methanopyrrolo[1,2-c][1,3]oxazine, 3,7-Methano-1H-pyrrolo[1,2-c][1,3]oxazine, hexahydro- |
|---|---|
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 145.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-oxa-7-azatricyclo[4.3.1.03,7]decane |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C8H13NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | YMPUMGQNTHXZLD-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.902 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.514 |
| Compound Name | Hexahydro-1H-3,7-methanopyrrolo[1,2-c][1,3]oxazine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 139.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 139.1 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 139.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4338275999999999 |
| Inchi | InChI=1S/C8H13NO/c1-2-7-4-8-3-6(1)9(7)5-10-8/h6-8H,1-5H2 |
| Smiles | C1CC2CC3CC1N2CO3 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Datura Metel (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Datura Stramonium (Plant) Rel Props:Source_db:cmaup_ingredients