3,3,4-Trimethylpyrrolidine-2,5-dione

C7H11NO2 — CID 550809

IUPAC3,3,4-trimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C7H11NO2/c1-4-5(9)8-6(10)7(4,2)3/h4H,1-3H3,(H,8,9,10)
InChIKeySUPYQTKKYLUOBW-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.50
Rot. Bonds

About 3,3,4-Trimethylpyrrolidine-2,5-dione

3,3,4-Trimethylpyrrolidine-2,5-dione (PubChem CID 550809) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3,3,4-trimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3,4-Trimethylpyrrolidine-2,5-dione
PubChem CID550809
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3,3,4-trimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C7H11NO2/c1-4-5(9)8-6(10)7(4,2)3/h4H,1-3H3,(H,8,9,10)
InChIKeySUPYQTKKYLUOBW-UHFFFAOYSA-N
XLogP0.50
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity196

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,4-Trimethylpyrrolidine-2,5-dione?
The IUPAC name of 3,3,4-Trimethylpyrrolidine-2,5-dione (CID 550809) is 3,3,4-trimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3,3,4-Trimethylpyrrolidine-2,5-dione?
The canonical SMILES for 3,3,4-Trimethylpyrrolidine-2,5-dione is CC1C(=O)NC(=O)C1(C)C.
What is the InChIKey of 3,3,4-Trimethylpyrrolidine-2,5-dione?
The InChIKey is SUPYQTKKYLUOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-5(9)8-6(10)7(4,2)3/h4H,1-3H3,(H,8,9,10).
What are the key properties of 3,3,4-Trimethylpyrrolidine-2,5-dione?
3,3,4-Trimethylpyrrolidine-2,5-dione has a molecular weight of 141.17 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-Trimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 550809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).