3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one

C10H20N2O — CID 104830759

IUPAC3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one
SMILESCC1NCC(=O)N1C(C)C(C)(C)C
InChIInChI=1S/C10H20N2O/c1-7(10(3,4)5)12-8(2)11-6-9(12)13/h7-8,11H,6H2,1-5H3
InChIKeyYVMYXSCCQLYSJJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.20
Rot. Bonds1

About 3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one

3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one (PubChem CID 104830759) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one
PubChem CID104830759
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one
SMILESCC1NCC(=O)N1C(C)C(C)(C)C
InChIInChI=1S/C10H20N2O/c1-7(10(3,4)5)12-8(2)11-6-9(12)13/h7-8,11H,6H2,1-5H3
InChIKeyYVMYXSCCQLYSJJ-UHFFFAOYSA-N
XLogP1.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,1-difluoropropan-2-yl)-2-methylimidazolidin-4-one
CID 127011544
3-(3,3-dimethylbutan-2-yl)-2-(4-fluorophenyl)imidazolidin-4-one
CID 114983582
3-(3,3-dimethylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 113458147
1-(3,3-dimethylbutan-2-yl)-6-ethylpiperazine-2,5-dione
CID 104830226
3-[1-(dimethylamino)propan-2-yl]-2-methylimidazolidin-4-one
CID 83260354
3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 114983586
3-(3,3-dimethylbutan-2-yl)-2-(4-nitrophenyl)imidazolidin-4-one
CID 114983567
3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one
CID 83249108
3-(2,2-dimethylpropyl)-2-methylimidazolidin-4-one
CID 83256549
3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one
CID 104830799
2-methyl-3-(1-morpholin-4-ylpropan-2-yl)imidazolidin-4-one
CID 83249615
3-(3,3-dimethylbutan-2-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 104830803

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one?
The IUPAC name of 3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one (CID 104830759) is 3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one?
The canonical SMILES for 3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one is CC1NCC(=O)N1C(C)C(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one?
The InChIKey is YVMYXSCCQLYSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7(10(3,4)5)12-8(2)11-6-9(12)13/h7-8,11H,6H2,1-5H3.
What are the key properties of 3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one?
3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one has a molecular weight of 184.28 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one is sourced from PubChem (CID 104830759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).