2,4,5,6-tetrahydro-1H-cyclopenta[d][1,3]oxazin-7-one
PubChem CID: 5316289
Connections displayed (default: 10).
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| Topological Polar Surface Area | 38.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 208.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4,5,6-tetrahydro-1H-cyclopenta[d][1,3]oxazin-7-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.2 |
| Molecular Formula | C7H9NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FMRTWLQPHKKGQW-UHFFFAOYSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -1.267 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.607 |
| Compound Name | 2,4,5,6-tetrahydro-1H-cyclopenta[d][1,3]oxazin-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 139.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 139.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 139.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5767547999999999 |
| Inchi | InChI=1S/C7H9NO2/c9-6-2-1-5-3-10-4-8-7(5)6/h8H,1-4H2 |
| Smiles | C1CC(=O)C2=C1COCN2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Laburnum Anagyroides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Sophora Alopecuroides (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Thermopsis Alpina (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Thermopsis Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Thermopsis Lanceolata (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Wisteria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients