5,5-diethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione

C13H21N3O3 — CID 18775734

IUPAC5,5-diethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C13H21N3O3/c1-3-13(4-2)11(18)16(12(19)14-13)9-10(17)15-7-5-6-8-15/h3-9H2,1-2H3,(H,14,19)
InChIKeyUUKGLBXFDOFWAX-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.72
Rot. Bonds4

About 5,5-diethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione

5,5-diethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione (PubChem CID 18775734) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5,5-diethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
PubChem CID18775734
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5,5-diethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C13H21N3O3/c1-3-13(4-2)11(18)16(12(19)14-13)9-10(17)15-7-5-6-8-15/h3-9H2,1-2H3,(H,14,19)
InChIKeyUUKGLBXFDOFWAX-UHFFFAOYSA-N
XLogP0.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione (CID 18775734) is 5,5-diethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CC(=O)N2CCCC2)C1=O.
What is the InChIKey of 5,5-diethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?
The InChIKey is UUKGLBXFDOFWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-13(4-2)11(18)16(12(19)14-13)9-10(17)15-7-5-6-8-15/h3-9H2,1-2H3,(H,14,19).
What are the key properties of 5,5-diethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?
5,5-diethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione has a molecular weight of 267.33 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 18775734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).