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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
Names and Synonyms:
Brivaracetam
1-Pyrrolidineacetamide, α-ethyl-2-oxo-4-propyl-, (αS,4R)-
(αS,4R)-α-Ethyl-2-oxo-4-propyl-1-pyrrolidineacetamide
UCB 34714
Brivaracetam
Briviact
1-Pyrrolidineacetamide α-ethyl-2-oxo-4-propyl-, (αS,4R)-
(2S)-2-[(4R)-2-Oxo-4-propyl-1-pyrrolidinyl]butanamide
Identifiers:
SMILES:
CCC[C@@H]1CC(=O)N([C@@H](CC)C(=N)O)C1
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
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 | 212.29 g/mol | CAS Common Chemistry |
| 212.29299999999998 g/mol | RDKit | |
| 212.15247788 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 |
| Molar Refractivity | 59.16250000000003 | RDKit |
