2-[(5-ethyloxolan-3-yl)methyl]-1-methylimidazole

C11H18N2O — CID 167265086

IUPAC2-[(5-ethyloxolan-3-yl)methyl]-1-methylimidazole
SMILESCCC1CC(Cc2nccn2C)CO1
InChIInChI=1S/C11H18N2O/c1-3-10-6-9(8-14-10)7-11-12-4-5-13(11)2/h4-5,9-10H,3,6-8H2,1-2H3
InChIKeyLWSODQXMOGQIIO-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.78
Rot. Bonds3

About 2-[(5-ethyloxolan-3-yl)methyl]-1-methylimidazole

2-[(5-ethyloxolan-3-yl)methyl]-1-methylimidazole (PubChem CID 167265086) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[(5-ethyloxolan-3-yl)methyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[(5-ethyloxolan-3-yl)methyl]-1-methylimidazole
PubChem CID167265086
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[(5-ethyloxolan-3-yl)methyl]-1-methylimidazole
SMILESCCC1CC(Cc2nccn2C)CO1
InChIInChI=1S/C11H18N2O/c1-3-10-6-9(8-14-10)7-11-12-4-5-13(11)2/h4-5,9-10H,3,6-8H2,1-2H3
InChIKeyLWSODQXMOGQIIO-UHFFFAOYSA-N
XLogP1.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyloxolan-3-yl)methyl]-1-methylimidazole?
The IUPAC name of 2-[(5-ethyloxolan-3-yl)methyl]-1-methylimidazole (CID 167265086) is 2-[(5-ethyloxolan-3-yl)methyl]-1-methylimidazole.
What is the SMILES notation for 2-[(5-ethyloxolan-3-yl)methyl]-1-methylimidazole?
The canonical SMILES for 2-[(5-ethyloxolan-3-yl)methyl]-1-methylimidazole is CCC1CC(Cc2nccn2C)CO1.
What is the InChIKey of 2-[(5-ethyloxolan-3-yl)methyl]-1-methylimidazole?
The InChIKey is LWSODQXMOGQIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-10-6-9(8-14-10)7-11-12-4-5-13(11)2/h4-5,9-10H,3,6-8H2,1-2H3.
What are the key properties of 2-[(5-ethyloxolan-3-yl)methyl]-1-methylimidazole?
2-[(5-ethyloxolan-3-yl)methyl]-1-methylimidazole has a molecular weight of 194.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyloxolan-3-yl)methyl]-1-methylimidazole is sourced from PubChem (CID 167265086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).