2-ethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one

C11H20N2O2 — CID 83256573

IUPAC2-ethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
SMILESCCC1NCC(=O)N1CC1CCCCO1
InChIInChI=1S/C11H20N2O2/c1-2-10-12-7-11(14)13(10)8-9-5-3-4-6-15-9/h9-10,12H,2-8H2,1H3
InChIKeyKXPOBUZXPSMPGJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.72
Rot. Bonds3

About 2-ethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one

2-ethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one (PubChem CID 83256573) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-ethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-ethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
PubChem CID83256573
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-ethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
SMILESCCC1NCC(=O)N1CC1CCCCO1
InChIInChI=1S/C11H20N2O2/c1-2-10-12-7-11(14)13(10)8-9-5-3-4-6-15-9/h9-10,12H,2-8H2,1H3
InChIKeyKXPOBUZXPSMPGJ-UHFFFAOYSA-N
XLogP0.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83250154
3-(oxan-2-ylmethyl)-2-phenylimidazolidin-4-one
CID 83256657
3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64885044
2-ethyl-5-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83255692
3-(oxan-2-ylmethyl)imidazolidine-2,4-dione
CID 103601172
2-cyclopentyl-5-methyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83256823
2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83255693
3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64886563
3,6-dimethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64874853
3-[2-(dimethylamino)ethyl]-2-ethylimidazolidin-4-one
CID 83250414
3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64887574
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one
CID 83257279

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 2-ethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one (CID 83256573) is 2-ethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2-ethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 2-ethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one is CCC1NCC(=O)N1CC1CCCCO1.
What is the InChIKey of 2-ethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one?
The InChIKey is KXPOBUZXPSMPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-10-12-7-11(14)13(10)8-9-5-3-4-6-15-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-ethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one?
2-ethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one has a molecular weight of 212.29 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83256573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).