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Molecule
Brivaracetam
CAS: 357336-20-0 · C11H20N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 357336-20-0
- Molecular Formula
- C11H20N2O2
- Molecular Mass
- 212.29 g/mol
Identifiers
CAS Registry Number
357336-20-0
SMILES
CCC[C@@H]1CC(=O)N([C@@H](CC)C(=N)O)C1
InChI Key
MSYKRHVOOPPJKU-BDAKNGLRSA-N
InChI
InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1
Names and Synonyms
- Brivaracetam Common Name
- 1-Pyrrolidineacetamide, α-ethyl-2-oxo-4-propyl-, (αS,4R)- Synonym
- (αS,4R)-α-Ethyl-2-oxo-4-propyl-1-pyrrolidineacetamide Synonym
- UCB 34714 Synonym
- Brivaracetam Synonym
- Briviact Synonym
- 1-Pyrrolidineacetamide α-ethyl-2-oxo-4-propyl-, (αS,4R)- Synonym
- (2S)-2-[(4R)-2-Oxo-4-propyl-1-pyrrolidinyl]butanamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.29 g/mol | CAS Common Chemistry |
| 212.29299999999998 g/mol | RDKit | |
| 212.293 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C(N1C(=O)CC(C1)CCC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=MSYKRHVOOPPJKU-BDAKNGLRSA-N | CAS Common Chemistry |
| Name | Brivaracetam | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 64.39 Ų | RDKit |
| LogP | 1.94887 | RDKit |
| 1.9489 | RDKit | |
| Molar Refractivity | 59.16250000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8182 | RDKit |
| 0.82 | chempirical lib | |
| Exact Mass | 212.15247788 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 212.29 g/mol. Edit any field — others recompute live.
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