3,3,5-trimethylpyrrolidine-2,4-dione

C7H11NO2 — CID 55299893

IUPAC3,3,5-trimethylpyrrolidine-2,4-dione
SMILESCC1NC(=O)C(C)(C)C1=O
InChIInChI=1S/C7H11NO2/c1-4-5(9)7(2,3)6(10)8-4/h4H,1-3H3,(H,8,10)
InChIKeyDCEKYPVGOVBVKV-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.10
Rot. Bonds

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

3,3,5-trimethylpyrrolidine-2,4-dione (PubChem CID 55299893) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3,3,5-trimethylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name3,3,5-trimethylpyrrolidine-2,4-dione
PubChem CID55299893
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3,3,5-trimethylpyrrolidine-2,4-dione
SMILESCC1NC(=O)C(C)(C)C1=O
InChIInChI=1S/C7H11NO2/c1-4-5(9)7(2,3)6(10)8-4/h4H,1-3H3,(H,8,10)
InChIKeyDCEKYPVGOVBVKV-UHFFFAOYSA-N
XLogP0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethylpyrrolidine-2,4-dione?
The IUPAC name of 3,3,5-trimethylpyrrolidine-2,4-dione (CID 55299893) is 3,3,5-trimethylpyrrolidine-2,4-dione.
What is the SMILES notation for 3,3,5-trimethylpyrrolidine-2,4-dione?
The canonical SMILES for 3,3,5-trimethylpyrrolidine-2,4-dione is CC1NC(=O)C(C)(C)C1=O.
What is the InChIKey of 3,3,5-trimethylpyrrolidine-2,4-dione?
The InChIKey is DCEKYPVGOVBVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-5(9)7(2,3)6(10)8-4/h4H,1-3H3,(H,8,10).
What are the key properties of 3,3,5-trimethylpyrrolidine-2,4-dione?
3,3,5-trimethylpyrrolidine-2,4-dione has a molecular weight of 141.17 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethylpyrrolidine-2,4-dione is sourced from PubChem (CID 55299893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).