1-hydroxy-4,4,5,5-tetramethyl-3-oxidoimidazol-3-ium

C7H14N2O2 — CID 12056026

IUPAC1-hydroxy-4,4,5,5-tetramethyl-3-oxidoimidazol-3-ium
SMILESCC1(C)N(O)C=[N+]([O-])C1(C)C
InChIInChI=1S/C7H14N2O2/c1-6(2)7(3,4)9(11)5-8(6)10/h5,10H,1-4H3
InChIKeyIRGHOCJSYDMRIA-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.79
Rot. Bonds

About 1-hydroxy-4,4,5,5-tetramethyl-3-oxidoimidazol-3-ium

1-hydroxy-4,4,5,5-tetramethyl-3-oxidoimidazol-3-ium (PubChem CID 12056026) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-hydroxy-4,4,5,5-tetramethyl-3-oxidoimidazol-3-ium.

Molecular Properties

Compound Name1-hydroxy-4,4,5,5-tetramethyl-3-oxidoimidazol-3-ium
PubChem CID12056026
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-hydroxy-4,4,5,5-tetramethyl-3-oxidoimidazol-3-ium
SMILESCC1(C)N(O)C=[N+]([O-])C1(C)C
InChIInChI=1S/C7H14N2O2/c1-6(2)7(3,4)9(11)5-8(6)10/h5,10H,1-4H3
InChIKeyIRGHOCJSYDMRIA-UHFFFAOYSA-N
XLogP0.79
TPSA49.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxy-4,4,5,5-tetramethyl-3-oxidoimidazol-3-ium?
The IUPAC name of 1-hydroxy-4,4,5,5-tetramethyl-3-oxidoimidazol-3-ium (CID 12056026) is 1-hydroxy-4,4,5,5-tetramethyl-3-oxidoimidazol-3-ium.
What is the SMILES notation for 1-hydroxy-4,4,5,5-tetramethyl-3-oxidoimidazol-3-ium?
The canonical SMILES for 1-hydroxy-4,4,5,5-tetramethyl-3-oxidoimidazol-3-ium is CC1(C)N(O)C=[N+]([O-])C1(C)C.
What is the InChIKey of 1-hydroxy-4,4,5,5-tetramethyl-3-oxidoimidazol-3-ium?
The InChIKey is IRGHOCJSYDMRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(2)7(3,4)9(11)5-8(6)10/h5,10H,1-4H3.
What are the key properties of 1-hydroxy-4,4,5,5-tetramethyl-3-oxidoimidazol-3-ium?
1-hydroxy-4,4,5,5-tetramethyl-3-oxidoimidazol-3-ium has a molecular weight of 158.20 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4,4,5,5-tetramethyl-3-oxidoimidazol-3-ium is sourced from PubChem (CID 12056026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).