3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methylimidazolidin-4-one

C11H20N2O3 — CID 83256538

IUPAC3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methylimidazolidin-4-one
SMILESCCC1(C)NCN(CC2COCCO2)C1=O
InChIInChI=1S/C11H20N2O3/c1-3-11(2)10(14)13(8-12-11)6-9-7-15-4-5-16-9/h9,12H,3-8H2,1-2H3
InChIKeyUFNRLPNZVJCERP-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.04
Rot. Bonds3

About 3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methylimidazolidin-4-one

3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methylimidazolidin-4-one (PubChem CID 83256538) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methylimidazolidin-4-one
PubChem CID83256538
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methylimidazolidin-4-one
SMILESCCC1(C)NCN(CC2COCCO2)C1=O
InChIInChI=1S/C11H20N2O3/c1-3-11(2)10(14)13(8-12-11)6-9-7-15-4-5-16-9/h9,12H,3-8H2,1-2H3
InChIKeyUFNRLPNZVJCERP-UHFFFAOYSA-N
XLogP-0.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-5-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one
CID 83259439
1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64963951
3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one
CID 83256292
5-ethyl-5-methyl-3-propylimidazolidin-4-one
CID 83242935
5-ethyl-5-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazolidin-4-one
CID 83249853
3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83256131
5-ethyl-3-(2-fluoroethyl)-5-methylimidazolidin-4-one
CID 130504764
1-(1,4-dioxan-2-ylmethyl)-1,3-diazinan-2-one
CID 115370969
1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one
CID 155126020
3-tert-butyl-1-(1,4-dioxan-2-ylmethyl)piperazine-2,5-dione
CID 64964195
3-(2-cyclopentylethyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83256191
3-(2-cyclohexylethyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83256196

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methylimidazolidin-4-one?
The IUPAC name of 3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methylimidazolidin-4-one (CID 83256538) is 3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methylimidazolidin-4-one?
The canonical SMILES for 3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methylimidazolidin-4-one is CCC1(C)NCN(CC2COCCO2)C1=O.
What is the InChIKey of 3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methylimidazolidin-4-one?
The InChIKey is UFNRLPNZVJCERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-11(2)10(14)13(8-12-11)6-9-7-15-4-5-16-9/h9,12H,3-8H2,1-2H3.
What are the key properties of 3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methylimidazolidin-4-one?
3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methylimidazolidin-4-one has a molecular weight of 228.29 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methylimidazolidin-4-one is sourced from PubChem (CID 83256538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).