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Molecule
Oxiracetam
CAS: 62613-82-5 · C6H10N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 62613-82-5
- Molecular Formula
- C6H10N2O3
- Molecular Mass
- 158.16 g/mol
Identifiers
CAS Registry Number
62613-82-5
SMILES
N=C(O)CN1CC(O)CC1=O
InChI Key
IHLAQQPQKRMGSS-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N2O3/c7-5(10)3-8-2-4(9)1-6(8)11/h4,9H,1-3H2,(H2,7,10)
Names and Synonyms
- Oxiracetam Synonym
- 1-Pyrrolidineacetamide, 4-hydroxy-2-oxo- Synonym
- 4-Hydroxy-2-oxo-1-pyrrolidineacetamide Synonym
- Oxiracetam Synonym
- ISF 2522 Synonym
- Hydroxypiracetam Synonym
- CT 848 Synonym
- CGP 21690 Synonym
- Neuractiv Synonym
- Neuromet Synonym
- CGP 21690E Synonym
- 2-(4-Hydroxy-2-oxopyrrolidin-1-yl)acetamide Synonym
- 4-Hydroxypyrrolidone-2-acetamide Synonym
- Oxyracetam Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.16 g/mol | CAS Common Chemistry |
| 158.15699999999995 g/mol | RDKit | |
| 158.157 g/mol | RDKit | |
| Canonical SMILES | O=C(N)CN1C(=O)CC(O)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H10N2O3/c7-5(10)3-8-2-4(9)1-6(8)11/h4,9H,1-3H2,(H2,7,10) | CAS Common Chemistry |
| InChI Key | InChIKey=IHLAQQPQKRMGSS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 165-168 °C | CAS Common Chemistry |
| Name | Oxiracetam | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 84.62 Ų | RDKit |
| LogP | -0.8851300000000002 | RDKit |
| -0.8851 | RDKit | |
| Molar Refractivity | 37.55930000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 158.06914218 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 158.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H10N2O3.
