N-(4,5-dimethyl-2-oxooxolan-3-yl)acetamide
PubChem CID: 5316598
Connections displayed (default: 10).
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| Topological Polar Surface Area | 55.4 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 214.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(4,5-dimethyl-2-oxooxolan-3-yl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C8H13NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZPMSJPDTFABBSV-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Logs | -1.345 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.23 |
| Compound Name | N-(4,5-dimethyl-2-oxooxolan-3-yl)acetamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 171.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 171.09 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 171.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4843152 |
| Inchi | InChI=1S/C8H13NO3/c1-4-5(2)12-8(11)7(4)9-6(3)10/h4-5,7H,1-3H3,(H,9,10) |
| Smiles | CC1C(OC(=O)C1NC(=O)C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Desmodium Styracifolium (Plant) Rel Props:Source_db:cmaup_ingredients