3-(2,2-dimethyloxan-4-yl)-5-methyl-2-propylimidazolidin-4-one

C14H26N2O2 — CID 83259851

IUPAC3-(2,2-dimethyloxan-4-yl)-5-methyl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C)C(=O)N1C1CCOC(C)(C)C1
InChIInChI=1S/C14H26N2O2/c1-5-6-12-15-10(2)13(17)16(12)11-7-8-18-14(3,4)9-11/h10-12,15H,5-9H2,1-4H3
InChIKeyLYSQYJDWKJUSOT-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.89
Rot. Bonds3

About 3-(2,2-dimethyloxan-4-yl)-5-methyl-2-propylimidazolidin-4-one

3-(2,2-dimethyloxan-4-yl)-5-methyl-2-propylimidazolidin-4-one (PubChem CID 83259851) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-(2,2-dimethyloxan-4-yl)-5-methyl-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-dimethyloxan-4-yl)-5-methyl-2-propylimidazolidin-4-one
PubChem CID83259851
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-(2,2-dimethyloxan-4-yl)-5-methyl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C)C(=O)N1C1CCOC(C)(C)C1
InChIInChI=1S/C14H26N2O2/c1-5-6-12-15-10(2)13(17)16(12)11-7-8-18-14(3,4)9-11/h10-12,15H,5-9H2,1-4H3
InChIKeyLYSQYJDWKJUSOT-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyloxan-4-yl)-5-methyl-2-propylimidazolidin-4-one?
The IUPAC name of 3-(2,2-dimethyloxan-4-yl)-5-methyl-2-propylimidazolidin-4-one (CID 83259851) is 3-(2,2-dimethyloxan-4-yl)-5-methyl-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-(2,2-dimethyloxan-4-yl)-5-methyl-2-propylimidazolidin-4-one?
The canonical SMILES for 3-(2,2-dimethyloxan-4-yl)-5-methyl-2-propylimidazolidin-4-one is CCCC1NC(C)C(=O)N1C1CCOC(C)(C)C1.
What is the InChIKey of 3-(2,2-dimethyloxan-4-yl)-5-methyl-2-propylimidazolidin-4-one?
The InChIKey is LYSQYJDWKJUSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-6-12-15-10(2)13(17)16(12)11-7-8-18-14(3,4)9-11/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 3-(2,2-dimethyloxan-4-yl)-5-methyl-2-propylimidazolidin-4-one?
3-(2,2-dimethyloxan-4-yl)-5-methyl-2-propylimidazolidin-4-one has a molecular weight of 254.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyloxan-4-yl)-5-methyl-2-propylimidazolidin-4-one is sourced from PubChem (CID 83259851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).