2-(2-ethenyl-3-methyl-2H-imidazol-1-yl)ethanol;sulfuric acid

C8H16N2O5S — CID 70562319

IUPAC2-(2-ethenyl-3-methyl-2H-imidazol-1-yl)ethanol;sulfuric acid
SMILESC=CC1N(C)C=CN1CCO.O=S(=O)(O)O
InChIInChI=1S/C8H14N2O.H2O4S/c1-3-8-9(2)4-5-10(8)6-7-11;1-5(2,3)4/h3-5,8,11H,1,6-7H2,2H3;(H2,1,2,3,4)
InChIKeyGQCNYZUQYSWFMA-UHFFFAOYSA-N
MW252.29 g/mol
LogP-0.44
Rot. Bonds3

About 2-(2-ethenyl-3-methyl-2H-imidazol-1-yl)ethanol;sulfuric acid

2-(2-ethenyl-3-methyl-2H-imidazol-1-yl)ethanol;sulfuric acid (PubChem CID 70562319) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-(2-ethenyl-3-methyl-2H-imidazol-1-yl)ethanol;sulfuric acid.

Molecular Properties

Compound Name2-(2-ethenyl-3-methyl-2H-imidazol-1-yl)ethanol;sulfuric acid
PubChem CID70562319
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Name2-(2-ethenyl-3-methyl-2H-imidazol-1-yl)ethanol;sulfuric acid
SMILESC=CC1N(C)C=CN1CCO.O=S(=O)(O)O
InChIInChI=1S/C8H14N2O.H2O4S/c1-3-8-9(2)4-5-10(8)6-7-11;1-5(2,3)4/h3-5,8,11H,1,6-7H2,2H3;(H2,1,2,3,4)
InChIKeyGQCNYZUQYSWFMA-UHFFFAOYSA-N
XLogP-0.44
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol;sulfuric acid
CID 118386602
2-(2,3-dimethyl-2H-imidazol-1-yl)ethanol;sulfo hydrogen sulfate
CID 157740302
1,3-bis(prop-2-enyl)-2H-imidazole;prop-2-enyl hydrogen sulfate
CID 173159447
methyl hydrogen sulfate;1-methyl-3-prop-2-enyl-2H-imidazole
CID 175510311
2-(2-ethenyl-3-methyl-2H-imidazol-1-yl)ethanol
CID 20562942
2-(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)ethyl hydrogen sulfate
CID 175488368

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenyl-3-methyl-2H-imidazol-1-yl)ethanol;sulfuric acid?
The IUPAC name of 2-(2-ethenyl-3-methyl-2H-imidazol-1-yl)ethanol;sulfuric acid (CID 70562319) is 2-(2-ethenyl-3-methyl-2H-imidazol-1-yl)ethanol;sulfuric acid.
What is the SMILES notation for 2-(2-ethenyl-3-methyl-2H-imidazol-1-yl)ethanol;sulfuric acid?
The canonical SMILES for 2-(2-ethenyl-3-methyl-2H-imidazol-1-yl)ethanol;sulfuric acid is C=CC1N(C)C=CN1CCO.O=S(=O)(O)O.
What is the InChIKey of 2-(2-ethenyl-3-methyl-2H-imidazol-1-yl)ethanol;sulfuric acid?
The InChIKey is GQCNYZUQYSWFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.H2O4S/c1-3-8-9(2)4-5-10(8)6-7-11;1-5(2,3)4/h3-5,8,11H,1,6-7H2,2H3;(H2,1,2,3,4).
What are the key properties of 2-(2-ethenyl-3-methyl-2H-imidazol-1-yl)ethanol;sulfuric acid?
2-(2-ethenyl-3-methyl-2H-imidazol-1-yl)ethanol;sulfuric acid has a molecular weight of 252.29 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenyl-3-methyl-2H-imidazol-1-yl)ethanol;sulfuric acid is sourced from PubChem (CID 70562319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).