2-ethyl-3-hexan-3-ylimidazolidin-4-one

C11H22N2O — CID 83252525

IUPAC2-ethyl-3-hexan-3-ylimidazolidin-4-one
SMILESCCCC(CC)N1C(=O)CNC1CC
InChIInChI=1S/C11H22N2O/c1-4-7-9(5-2)13-10(6-3)12-8-11(13)14/h9-10,12H,4-8H2,1-3H3
InChIKeyMKSQVGDKGWWACI-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.73
Rot. Bonds5

About 2-ethyl-3-hexan-3-ylimidazolidin-4-one

2-ethyl-3-hexan-3-ylimidazolidin-4-one (PubChem CID 83252525) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-ethyl-3-hexan-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-ethyl-3-hexan-3-ylimidazolidin-4-one
PubChem CID83252525
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-ethyl-3-hexan-3-ylimidazolidin-4-one
SMILESCCCC(CC)N1C(=O)CNC1CC
InChIInChI=1S/C11H22N2O/c1-4-7-9(5-2)13-10(6-3)12-8-11(13)14/h9-10,12H,4-8H2,1-3H3
InChIKeyMKSQVGDKGWWACI-UHFFFAOYSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methoxypentan-2-yl)-2-propylimidazolidin-4-one
CID 83263990
2-(2-methylpropyl)-3-octan-4-ylimidazolidin-4-one
CID 106021540
2,5-diethyl-3-hexan-3-yl-5-methylimidazolidin-4-one
CID 83252694
2-(2,5-dimethylphenyl)-3-hexan-3-ylimidazolidin-4-one
CID 83252372
3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one
CID 83258011
1-hexan-3-yl-6-phenylpiperazine-2,5-dione
CID 64969117
2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83244288
3-butyl-2-ethylimidazolidin-4-one
CID 83238160
3-heptan-2-yl-2-(2-methylpropyl)imidazolidin-4-one
CID 83253857
1-hexan-3-ylpiperazine-2,5-dione
CID 64955992
3-octan-4-yl-2-phenylimidazolidin-4-one
CID 106021439
3-(4-methoxybutan-2-yl)-2-propylimidazolidin-4-one
CID 83259409

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hexan-3-ylimidazolidin-4-one?
The IUPAC name of 2-ethyl-3-hexan-3-ylimidazolidin-4-one (CID 83252525) is 2-ethyl-3-hexan-3-ylimidazolidin-4-one.
What is the SMILES notation for 2-ethyl-3-hexan-3-ylimidazolidin-4-one?
The canonical SMILES for 2-ethyl-3-hexan-3-ylimidazolidin-4-one is CCCC(CC)N1C(=O)CNC1CC.
What is the InChIKey of 2-ethyl-3-hexan-3-ylimidazolidin-4-one?
The InChIKey is MKSQVGDKGWWACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-7-9(5-2)13-10(6-3)12-8-11(13)14/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-3-hexan-3-ylimidazolidin-4-one?
2-ethyl-3-hexan-3-ylimidazolidin-4-one has a molecular weight of 198.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hexan-3-ylimidazolidin-4-one is sourced from PubChem (CID 83252525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).