1-(2-methoxyethyl)-2,3-dimethylimidazol-3-ium

C8H15N2O+ — CID 59602015

IUPAC1-(2-methoxyethyl)-2,3-dimethylimidazol-3-ium
SMILESCOCCn1cc[n+](C)c1C
InChIInChI=1S/C8H15N2O/c1-8-9(2)4-5-10(8)6-7-11-3/h4-5H,6-7H2,1-3H3/q+1
InChIKeyVXAOTIPQBWKOOS-UHFFFAOYSA-N
MW155.22 g/mol
LogP0.27
Rot. Bonds3

About 1-(2-methoxyethyl)-2,3-dimethylimidazol-3-ium

1-(2-methoxyethyl)-2,3-dimethylimidazol-3-ium (PubChem CID 59602015) has the molecular formula C8H15N2O+ and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2,3-dimethylimidazol-3-ium.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2,3-dimethylimidazol-3-ium
PubChem CID59602015
Molecular FormulaC8H15N2O+
Molecular Weight155.22 g/mol
Exact Mass155.12
IUPAC Name1-(2-methoxyethyl)-2,3-dimethylimidazol-3-ium
SMILESCOCCn1cc[n+](C)c1C
InChIInChI=1S/C8H15N2O/c1-8-9(2)4-5-10(8)6-7-11-3/h4-5H,6-7H2,1-3H3/q+1
InChIKeyVXAOTIPQBWKOOS-UHFFFAOYSA-N
XLogP0.27
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2,3-dimethylimidazol-3-ium?
The IUPAC name of 1-(2-methoxyethyl)-2,3-dimethylimidazol-3-ium (CID 59602015) is 1-(2-methoxyethyl)-2,3-dimethylimidazol-3-ium.
What is the SMILES notation for 1-(2-methoxyethyl)-2,3-dimethylimidazol-3-ium?
The canonical SMILES for 1-(2-methoxyethyl)-2,3-dimethylimidazol-3-ium is COCCn1cc[n+](C)c1C.
What is the InChIKey of 1-(2-methoxyethyl)-2,3-dimethylimidazol-3-ium?
The InChIKey is VXAOTIPQBWKOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2O/c1-8-9(2)4-5-10(8)6-7-11-3/h4-5H,6-7H2,1-3H3/q+1.
What are the key properties of 1-(2-methoxyethyl)-2,3-dimethylimidazol-3-ium?
1-(2-methoxyethyl)-2,3-dimethylimidazol-3-ium has a molecular weight of 155.22 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2,3-dimethylimidazol-3-ium is sourced from PubChem (CID 59602015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).