2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one

C12H22N2O3 — CID 113451101

IUPAC2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one
SMILESCCC1NC(C)C(=O)N1CC1(OC)CCOC1
InChIInChI=1S/C12H22N2O3/c1-4-10-13-9(2)11(15)14(10)7-12(16-3)5-6-17-8-12/h9-10,13H,4-8H2,1-3H3
InChIKeyGESLPSAQACTVQP-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.35
Rot. Bonds4

About 2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one

2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one (PubChem CID 113451101) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one
PubChem CID113451101
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one
SMILESCCC1NC(C)C(=O)N1CC1(OC)CCOC1
InChIInChI=1S/C12H22N2O3/c1-4-10-13-9(2)11(15)14(10)7-12(16-3)5-6-17-8-12/h9-10,13H,4-8H2,1-3H3
InChIKeyGESLPSAQACTVQP-UHFFFAOYSA-N
XLogP0.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methoxyoxolan-3-yl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 104767861
3-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylimidazolidin-4-one
CID 104767838
5-butyl-3-[(3-methoxyoxolan-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one
CID 104767865
3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione
CID 104766542
3-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 104767875
3-[(3-methoxyoxolan-3-yl)methyl]-5-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 104767840
3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione
CID 104766524
1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 104766533
2-ethyl-5-methyl-3-(oxan-4-ylmethyl)imidazolidin-4-one
CID 83257022
1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 104765879
3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one
CID 104766156
1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one
CID 104761898

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one?
The IUPAC name of 2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one (CID 113451101) is 2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one.
What is the SMILES notation for 2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one?
The canonical SMILES for 2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one is CCC1NC(C)C(=O)N1CC1(OC)CCOC1.
What is the InChIKey of 2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one?
The InChIKey is GESLPSAQACTVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-10-13-9(2)11(15)14(10)7-12(16-3)5-6-17-8-12/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one?
2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one has a molecular weight of 242.32 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one is sourced from PubChem (CID 113451101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).