3,4-diethyl-1,3,4-trimethylpyrrolidine-2,5-dione

C11H19NO2 — CID 54209506

IUPAC3,4-diethyl-1,3,4-trimethylpyrrolidine-2,5-dione
SMILESCCC1(C)C(=O)N(C)C(=O)C1(C)CC
InChIInChI=1S/C11H19NO2/c1-6-10(3)8(13)12(5)9(14)11(10,4)7-2/h6-7H2,1-5H3
InChIKeyPUXZYFQVADREKF-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.82
Rot. Bonds2

About 3,4-diethyl-1,3,4-trimethylpyrrolidine-2,5-dione

3,4-diethyl-1,3,4-trimethylpyrrolidine-2,5-dione (PubChem CID 54209506) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3,4-diethyl-1,3,4-trimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-diethyl-1,3,4-trimethylpyrrolidine-2,5-dione
PubChem CID54209506
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3,4-diethyl-1,3,4-trimethylpyrrolidine-2,5-dione
SMILESCCC1(C)C(=O)N(C)C(=O)C1(C)CC
InChIInChI=1S/C11H19NO2/c1-6-10(3)8(13)12(5)9(14)11(10,4)7-2/h6-7H2,1-5H3
InChIKeyPUXZYFQVADREKF-UHFFFAOYSA-N
XLogP1.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
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 3,4-diethyl-1,3,4-trimethylpyrrolidine-2,5-dione?
The IUPAC name of 3,4-diethyl-1,3,4-trimethylpyrrolidine-2,5-dione (CID 54209506) is 3,4-diethyl-1,3,4-trimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-diethyl-1,3,4-trimethylpyrrolidine-2,5-dione?
The canonical SMILES for 3,4-diethyl-1,3,4-trimethylpyrrolidine-2,5-dione is CCC1(C)C(=O)N(C)C(=O)C1(C)CC.
What is the InChIKey of 3,4-diethyl-1,3,4-trimethylpyrrolidine-2,5-dione?
The InChIKey is PUXZYFQVADREKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-6-10(3)8(13)12(5)9(14)11(10,4)7-2/h6-7H2,1-5H3.
What are the key properties of 3,4-diethyl-1,3,4-trimethylpyrrolidine-2,5-dione?
3,4-diethyl-1,3,4-trimethylpyrrolidine-2,5-dione has a molecular weight of 197.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-1,3,4-trimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 54209506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).