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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 Weight:
141.17 g/mol
Names and Synonyms:
Ethosuximide
2,5-Pyrrolidinedione, 3-ethyl-3-methyl-
Succinimide, 2-ethyl-2-methyl-
3-Ethyl-3-methyl-2,5-pyrrolidinedione
C.I. 366
PM 671
Emeside
Ethosuxide
Ethosuximide
3-Ethyl-3-methylpyrrolidine-2,5-dione
2-Ethyl-2-methylsuccinimide
Petinimid
Petnidan
Succimitin
Suxinutin
Zarodan
Zarondan-Saft
Zarontin
α-Ethyl-α-methylsuccinimide
Simatin
Ronton
3-Methyl-3-ethylpyrrolidine-2,5-dione
Pyknolepsinum
Succimal
Capitus
Atysmal
Ethymal
Pemal
Mesentol
Suxilep
Suximal
Etosuximid
Piknolepsin
H 940
Zarondan
3-Ethyl-3-methylsuccinimide
α-Methyl-α-ethylsuccinimide
3-Methyl-3-ethylsuccinimide
2-Methyl-2-ethylsuccinimide
Epileo Petitmal
CN 10395
Peptinimid
NSC 64013
(±)-Ethosuximide
Identifiers:
SMILES:
CCC1(C)CC(O)=NC1=O
InChI:
InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 141.17 g/mol | Legacy Database |
| cas-boiling-point | 129 °C None | Legacy Database |
| cas-canonical-smile | O=C1NC(=O)C(C)(C1)CC None | Legacy Database |
| cas-inchi | InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10) None | Legacy Database |
| cas-inchi-key | InChIKey=HAPOVYFOVVWLRS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 64.5 °C None | Legacy Database |
| cas-name | Ethosuximide None | Legacy Database |
| LogP | 1.2895 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 141.17 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 141.078978592 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 49.660000000000004 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.0858 | RDKit |
