5-methyl-3-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazolidin-4-one

C13H24N2O2 — CID 83243781

IUPAC5-methyl-3-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazolidin-4-one
SMILESCC1NC(C(C)C)N(C(C)C2CCCO2)C1=O
InChIInChI=1S/C13H24N2O2/c1-8(2)12-14-9(3)13(16)15(12)10(4)11-6-5-7-17-11/h8-12,14H,5-7H2,1-4H3
InChIKeyWCSJSQDIPLYLHR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.36
Rot. Bonds3

About 5-methyl-3-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazolidin-4-one

5-methyl-3-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazolidin-4-one (PubChem CID 83243781) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-methyl-3-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazolidin-4-one
PubChem CID83243781
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name5-methyl-3-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazolidin-4-one
SMILESCC1NC(C(C)C)N(C(C)C2CCCO2)C1=O
InChIInChI=1S/C13H24N2O2/c1-8(2)12-14-9(3)13(16)15(12)10(4)11-6-5-7-17-11/h8-12,14H,5-7H2,1-4H3
InChIKeyWCSJSQDIPLYLHR-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-3-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 5-methyl-3-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazolidin-4-one (CID 83243781) is 5-methyl-3-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-methyl-3-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-methyl-3-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazolidin-4-one is CC1NC(C(C)C)N(C(C)C2CCCO2)C1=O.
What is the InChIKey of 5-methyl-3-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazolidin-4-one?
The InChIKey is WCSJSQDIPLYLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-8(2)12-14-9(3)13(16)15(12)10(4)11-6-5-7-17-11/h8-12,14H,5-7H2,1-4H3.
What are the key properties of 5-methyl-3-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazolidin-4-one?
5-methyl-3-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazolidin-4-one has a molecular weight of 240.35 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83243781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).