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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
Names and Synonyms:
Oxiracetam
1-Pyrrolidineacetamide, 4-hydroxy-2-oxo-
4-Hydroxy-2-oxo-1-pyrrolidineacetamide
Oxiracetam
ISF 2522
Hydroxypiracetam
CT 848
CGP 21690
Neuractiv
Neuromet
CGP 21690E
2-(4-Hydroxy-2-oxopyrrolidin-1-yl)acetamide
4-Hydroxypyrrolidone-2-acetamide
Oxyracetam
Identifiers:
SMILES:
N=C(O)CN1CC(O)CC1=O
InChI:
InChI=1S/C6H10N2O3/c7-5(10)3-8-2-4(9)1-6(8)11/h4,9H,1-3H2,(H2,7,10)
Key Properties
Melting Point
165-168 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.16 g/mol | CAS Common Chemistry |
| 158.15699999999995 g/mol | RDKit | |
| 158.06914218 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 |
| Molar Refractivity | 37.55930000000001 | RDKit |
