3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one

C11H20N2O3 — CID 83256131

IUPAC3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NCN(CC2COCCO2)C1=O
InChIInChI=1S/C11H20N2O3/c1-8(2)10-11(14)13(7-12-10)5-9-6-15-3-4-16-9/h8-10,12H,3-7H2,1-2H3
InChIKeyMNOBOGVQJBAAEG-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.18
Rot. Bonds3

About 3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one

3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83256131) 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-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83256131
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NCN(CC2COCCO2)C1=O
InChIInChI=1S/C11H20N2O3/c1-8(2)10-11(14)13(7-12-10)5-9-6-15-3-4-16-9/h8-10,12H,3-7H2,1-2H3
InChIKeyMNOBOGVQJBAAEG-UHFFFAOYSA-N
XLogP-0.18
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 ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,4-dioxan-2-ylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83255818
3-[2-(oxolan-2-yl)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83249516
2-cyclopentyl-3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83246555
3-[(1,1-dioxothiolan-3-yl)methyl]-5-propan-2-ylimidazolidin-4-one
CID 83253887
3-tert-butyl-1-(1,4-dioxan-2-ylmethyl)piperazine-2,5-dione
CID 64964195
3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83256538
1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64964078
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-(2-cyclopropylethyl)-5-propan-2-ylimidazolidin-4-one
CID 83258288
5-propan-2-yl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83259518
3-(4-methylpentyl)-5-propan-2-ylimidazolidin-4-one
CID 83257837

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one (CID 83256131) is 3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one is CC(C)C1NCN(CC2COCCO2)C1=O.
What is the InChIKey of 3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is MNOBOGVQJBAAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)10-11(14)13(7-12-10)5-9-6-15-3-4-16-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one?
3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 228.29 g/mol, XLogP of -0.18, 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-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83256131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).