2-(3-ethenylimidazol-1-ium-1-yl)ethanol

C7H11N2O+ — CID 14366476

IUPAC2-(3-ethenylimidazol-1-ium-1-yl)ethanol
SMILESC=Cn1cc[n+](CCO)c1
InChIInChI=1S/C7H11N2O/c1-2-8-3-4-9(7-8)5-6-10/h2-4,7,10H,1,5-6H2/q+1
InChIKeyNHDSYERGJSFYIA-UHFFFAOYSA-N
MW139.18 g/mol
LogP-0.13
Rot. Bonds3

About 2-(3-ethenylimidazol-1-ium-1-yl)ethanol

2-(3-ethenylimidazol-1-ium-1-yl)ethanol (PubChem CID 14366476) has the molecular formula C7H11N2O+ and a molecular weight of 139.18 g/mol. Its IUPAC name is 2-(3-ethenylimidazol-1-ium-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-ethenylimidazol-1-ium-1-yl)ethanol
PubChem CID14366476
Molecular FormulaC7H11N2O+
Molecular Weight139.18 g/mol
Exact Mass139.09
IUPAC Name2-(3-ethenylimidazol-1-ium-1-yl)ethanol
SMILESC=Cn1cc[n+](CCO)c1
InChIInChI=1S/C7H11N2O/c1-2-8-3-4-9(7-8)5-6-10/h2-4,7,10H,1,5-6H2/q+1
InChIKeyNHDSYERGJSFYIA-UHFFFAOYSA-N
XLogP-0.13
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
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 2-(3-ethenylimidazol-1-ium-1-yl)ethanol?
The IUPAC name of 2-(3-ethenylimidazol-1-ium-1-yl)ethanol (CID 14366476) is 2-(3-ethenylimidazol-1-ium-1-yl)ethanol.
What is the SMILES notation for 2-(3-ethenylimidazol-1-ium-1-yl)ethanol?
The canonical SMILES for 2-(3-ethenylimidazol-1-ium-1-yl)ethanol is C=Cn1cc[n+](CCO)c1.
What is the InChIKey of 2-(3-ethenylimidazol-1-ium-1-yl)ethanol?
The InChIKey is NHDSYERGJSFYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2O/c1-2-8-3-4-9(7-8)5-6-10/h2-4,7,10H,1,5-6H2/q+1.
What are the key properties of 2-(3-ethenylimidazol-1-ium-1-yl)ethanol?
2-(3-ethenylimidazol-1-ium-1-yl)ethanol has a molecular weight of 139.18 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenylimidazol-1-ium-1-yl)ethanol is sourced from PubChem (CID 14366476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).