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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.

External Resources

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

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