2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one

C13H24N2O2 — CID 83256490

IUPAC2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(C)N(CC2CCCCO2)C1=O
InChIInChI=1S/C13H24N2O2/c1-9(2)12-13(16)15(10(3)14-12)8-11-6-4-5-7-17-11/h9-12,14H,4-8H2,1-3H3
InChIKeyQMCXZCQNUXKWJZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.36
Rot. Bonds3

About 2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one

2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83256490) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83256490
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(C)N(CC2CCCCO2)C1=O
InChIInChI=1S/C13H24N2O2/c1-9(2)12-13(16)15(10(3)14-12)8-11-6-4-5-7-17-11/h9-12,14H,4-8H2,1-3H3
InChIKeyQMCXZCQNUXKWJZ-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

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Related Compounds

2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83255693
2-cyclopentyl-3-(oxolan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83251558
3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83247866
3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 106000051
2-cyclopentyl-5-methyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83256823
2-cyclopentyl-3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83246555
3,6-dimethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64874853
2-ethyl-3-[2-(oxolan-2-yl)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83249092
5-methyl-2-(2-methylpropyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one
CID 83251471
2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83249091
2-ethyl-5-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83255692
3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64886563

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one (CID 83256490) is 2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one is CC(C)C1NC(C)N(CC2CCCCO2)C1=O.
What is the InChIKey of 2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is QMCXZCQNUXKWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)12-13(16)15(10(3)14-12)8-11-6-4-5-7-17-11/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one?
2-methyl-3-(oxan-2-ylmethyl)-5-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 2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83256490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).