(2S)-2-hydroxy-4-methyl-1,2-dihydropyrrol-5-one
PubChem CID: 5325835
Connections displayed (default: 10).
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| Topological Polar Surface Area | 49.3 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-hydroxy-4-methyl-1,2-dihydropyrrol-5-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.5 |
| Molecular Formula | C5H7NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DORDKUBCRPNETF-BYPYZUCNSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.019 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.77 |
| Compound Name | (2S)-2-hydroxy-4-methyl-1,2-dihydropyrrol-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 113.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 113.048 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 113.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.4090191999999999 |
| Inchi | InChI=1S/C5H7NO2/c1-3-2-4(7)6-5(3)8/h2,4,7H,1H3,(H,6,8)/t4-/m0/s1 |
| Smiles | CC1=C[C@@H](NC1=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lilium Hansonii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Nardostachys Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients