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Molecule
Α-Ethyl-2-Oxo-1-Pyrrolidineacetamide
CAS: 33996-58-6 · C8H14N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 33996-58-6
- Molecular Formula
- C8H14N2O2
- Molecular Mass
- 170.21 g/mol
Identifiers
CAS Registry Number
33996-58-6
SMILES
CCC(C(=N)O)N1CCCC1=O
InChI Key
HPHUVLMMVZITSG-UHFFFAOYSA-N
InChI
InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)
Names and Synonyms
- Α-Ethyl-2-Oxo-1-Pyrrolidineacetamide Synonym
- 1-Pyrrolidineacetamide, α-ethyl-2-oxo- Synonym
- α-Ethyl-2-oxo-1-pyrrolidineacetamide Synonym
- Etiracetam Synonym
- UCB 6474 Synonym
- 2-(2-Oxopyrrolidin-1-yl)butanamide Synonym
- 2-(2-Oxo-1-pyrrolidinyl)butanamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.21 g/mol | CAS Common Chemistry |
| 170.21199999999996 g/mol | RDKit | |
| 170.212 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C(N1C(=O)CCC1)CC | CAS Common Chemistry |
| InChI | InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12) | CAS Common Chemistry |
| InChI Key | InChIKey=HPHUVLMMVZITSG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 113-114 °C @ Solvent: Acetone | CAS Common Chemistry |
| Name | α-Ethyl-2-oxo-1-pyrrolidineacetamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 64.39 Ų | RDKit |
| LogP | 0.9226699999999999 | RDKit |
| 0.9227 | RDKit | |
| Molar Refractivity | 45.38150000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 170.105527688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 170.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H14N2O2.
