Ethosuximide metabolite III

C7H9NO3 — CID 101661945

IUPAC3-acetyl-3-methylpyrrolidine-2,5-dione
SMILESCC(=O)C1(CC(=O)NC1=O)C
InChIInChI=1S/C7H9NO3/c1-4(9)7(2)3-5(10)8-6(7)11/h3H2,1-2H3,(H,8,10,11)
InChIKeySIZWFFGZMYBCOM-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.70
Rot. Bonds1

About Ethosuximide metabolite III

Ethosuximide metabolite III (PubChem CID 101661945) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-acetyl-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound NameEthosuximide metabolite III
PubChem CID101661945
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-acetyl-3-methylpyrrolidine-2,5-dione
SMILESCC(=O)C1(CC(=O)NC1=O)C
InChIInChI=1S/C7H9NO3/c1-4(9)7(2)3-5(10)8-6(7)11/h3H2,1-2H3,(H,8,10,11)
InChIKeySIZWFFGZMYBCOM-UHFFFAOYSA-N
XLogP-0.70
TPSA63.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity246

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Ethosuximide
CID 3291
(R)-Ethosuximide
CID 6603844
3,3-Diethylpyrrolidine-2,5-dione
CID 222690
(S)-Ethosuximide
CID 10630591
4-Acetylpyrrolidine-2,3,5-trione
CID 364529
3-Methyl-3-(2,2,2-trideuterioethyl)pyrrolidine-2,5-dione
CID 46781517
3-Ethylpyrrolidine-2,5-dione
CID 12648191
(3S,4R)-3-(2,2-dimethylpropanoyl)-4-methylpyrrolidine-2,5-dione
CID 131169151
(S)-3-ethylpyrrolidine-2,5-dione
CID 12648192
3-Acetylpyrrolidine-2,5-dione
CID 15178180
3-Propanoylpyrrolidine-2,5-dione
CID 21511741
4-Ethylpyrrolidine-2,3,5-trione
CID 57173569

Frequently Asked Questions

What is the IUPAC name of Ethosuximide metabolite III?
The IUPAC name of Ethosuximide metabolite III (CID 101661945) is 3-acetyl-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for Ethosuximide metabolite III?
The canonical SMILES for Ethosuximide metabolite III is CC(=O)C1(CC(=O)NC1=O)C.
What is the InChIKey of Ethosuximide metabolite III?
The InChIKey is SIZWFFGZMYBCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4(9)7(2)3-5(10)8-6(7)11/h3H2,1-2H3,(H,8,10,11).
What are the key properties of Ethosuximide metabolite III?
Ethosuximide metabolite III has a molecular weight of 155.15 g/mol, XLogP of -0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Ethosuximide metabolite III is sourced from PubChem (CID 101661945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).