2-methyl-3-[1-(oxolan-2-yl)ethyl]-5-propylimidazolidin-4-one

C13H24N2O2 — CID 83243306

IUPAC2-methyl-3-[1-(oxolan-2-yl)ethyl]-5-propylimidazolidin-4-one
SMILESCCCC1NC(C)N(C(C)C2CCCO2)C1=O
InChIInChI=1S/C13H24N2O2/c1-4-6-11-13(16)15(10(3)14-11)9(2)12-7-5-8-17-12/h9-12,14H,4-8H2,1-3H3
InChIKeyJNEDJMANNNEHSR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.50
Rot. Bonds4

About 2-methyl-3-[1-(oxolan-2-yl)ethyl]-5-propylimidazolidin-4-one

2-methyl-3-[1-(oxolan-2-yl)ethyl]-5-propylimidazolidin-4-one (PubChem CID 83243306) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methyl-3-[1-(oxolan-2-yl)ethyl]-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-methyl-3-[1-(oxolan-2-yl)ethyl]-5-propylimidazolidin-4-one
PubChem CID83243306
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-methyl-3-[1-(oxolan-2-yl)ethyl]-5-propylimidazolidin-4-one
SMILESCCCC1NC(C)N(C(C)C2CCCO2)C1=O
InChIInChI=1S/C13H24N2O2/c1-4-6-11-13(16)15(10(3)14-11)9(2)12-7-5-8-17-12/h9-12,14H,4-8H2,1-3H3
InChIKeyJNEDJMANNNEHSR-UHFFFAOYSA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(oxolan-2-yl)ethyl]-5-propylimidazolidin-4-one?
The IUPAC name of 2-methyl-3-[1-(oxolan-2-yl)ethyl]-5-propylimidazolidin-4-one (CID 83243306) is 2-methyl-3-[1-(oxolan-2-yl)ethyl]-5-propylimidazolidin-4-one.
What is the SMILES notation for 2-methyl-3-[1-(oxolan-2-yl)ethyl]-5-propylimidazolidin-4-one?
The canonical SMILES for 2-methyl-3-[1-(oxolan-2-yl)ethyl]-5-propylimidazolidin-4-one is CCCC1NC(C)N(C(C)C2CCCO2)C1=O.
What is the InChIKey of 2-methyl-3-[1-(oxolan-2-yl)ethyl]-5-propylimidazolidin-4-one?
The InChIKey is JNEDJMANNNEHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-6-11-13(16)15(10(3)14-11)9(2)12-7-5-8-17-12/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 2-methyl-3-[1-(oxolan-2-yl)ethyl]-5-propylimidazolidin-4-one?
2-methyl-3-[1-(oxolan-2-yl)ethyl]-5-propylimidazolidin-4-one has a molecular weight of 240.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(oxolan-2-yl)ethyl]-5-propylimidazolidin-4-one is sourced from PubChem (CID 83243306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).