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Ethosuximide
CAS: 77-67-8 | C7H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 77-67-8
- Molecular Formula
- C7H11NO2
- Molecular Mass
- 141.17 g/mol
Identifiers
CAS Registry Number
77-67-8
SMILES
CCC1(C)CC(O)=NC1=O
InChI Key
HAPOVYFOVVWLRS-UHFFFAOYSA-N
InChI
InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)
Names and Synonyms
- Ethosuximide Synonym
- 2,5-Pyrrolidinedione, 3-ethyl-3-methyl- Synonym
- Succinimide, 2-ethyl-2-methyl- Synonym
- 3-Ethyl-3-methyl-2,5-pyrrolidinedione Synonym
- C.I. 366 Synonym
- PM 671 Synonym
- Emeside Synonym
- Ethosuxide Synonym
- Ethosuximide Synonym
- 3-Ethyl-3-methylpyrrolidine-2,5-dione Synonym
- 2-Ethyl-2-methylsuccinimide Synonym
- Petinimid Synonym
- Petnidan Synonym
- Succimitin Synonym
- Suxinutin Synonym
- Zarodan Synonym
- Zarondan-Saft Synonym
- Zarontin Synonym
- α-Ethyl-α-methylsuccinimide Synonym
- Simatin Synonym
- Ronton Synonym
- 3-Methyl-3-ethylpyrrolidine-2,5-dione Synonym
- Pyknolepsinum Synonym
- Succimal Synonym
- Capitus Synonym
- Atysmal Synonym
- Ethymal Synonym
- Pemal Synonym
- Mesentol Synonym
- Suxilep Synonym
- Suximal Synonym
- Etosuximid Synonym
- Piknolepsin Synonym
- H 940 Synonym
- Zarondan Synonym
- 3-Ethyl-3-methylsuccinimide Synonym
- α-Methyl-α-ethylsuccinimide Synonym
- 3-Methyl-3-ethylsuccinimide Synonym
- 2-Methyl-2-ethylsuccinimide Synonym
- Epileo Petitmal Synonym
- CN 10395 Synonym
- Peptinimid Synonym
- NSC 64013 Synonym
- (±)-Ethosuximide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 141.17 g/mol | CAS Common Chemistry |
| Boiling Point | 129 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1NC(=O)C(C)(C1)CC | CAS Common Chemistry |
| InChI | InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=HAPOVYFOVVWLRS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 64.5 °C | CAS Common Chemistry |
| Name | Ethosuximide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.660000000000004 Ų | RDKit |
| 49.66 Ų | RDKit | |
| LogP | 1.2895 | RDKit |
| 1.19 | chempirical lib | |
| Molar Refractivity | 38.0858 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 141.078978592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Related
Related molecules
Other compounds with formula C7H11NO2.
