3-ethyl-5-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one

C11H16N2O2 — CID 67840038

IUPAC3-ethyl-5-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one
SMILESCCC1C(=O)OC(C)C1c1cncn1C
InChIInChI=1S/C11H16N2O2/c1-4-8-10(7(2)15-11(8)14)9-5-12-6-13(9)3/h5-8,10H,4H2,1-3H3
InChIKeyJWNDFNVWNUXWRG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.48
Rot. Bonds2

About 3-ethyl-5-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one

3-ethyl-5-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one (PubChem CID 67840038) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-ethyl-5-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one.

Molecular Properties

Compound Name3-ethyl-5-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one
PubChem CID67840038
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-ethyl-5-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one
SMILESCCC1C(=O)OC(C)C1c1cncn1C
InChIInChI=1S/C11H16N2O2/c1-4-8-10(7(2)15-11(8)14)9-5-12-6-13(9)3/h5-8,10H,4H2,1-3H3
InChIKeyJWNDFNVWNUXWRG-UHFFFAOYSA-N
XLogP1.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one?
The IUPAC name of 3-ethyl-5-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one (CID 67840038) is 3-ethyl-5-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one.
What is the SMILES notation for 3-ethyl-5-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one?
The canonical SMILES for 3-ethyl-5-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one is CCC1C(=O)OC(C)C1c1cncn1C.
What is the InChIKey of 3-ethyl-5-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one?
The InChIKey is JWNDFNVWNUXWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-4-8-10(7(2)15-11(8)14)9-5-12-6-13(9)3/h5-8,10H,4H2,1-3H3.
What are the key properties of 3-ethyl-5-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one?
3-ethyl-5-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-4-(3-methylimidazol-4-yl)oxolan-2-one is sourced from PubChem (CID 67840038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).