1-ethyl-1H-imidazol-1-ium hydroxide

C5H10N2O — CID 160523196

IUPAC1-ethyl-1H-imidazol-1-ium hydroxide
SMILESCC[NH+]1C=CN=C1.[OH-]
InChIInChI=1S/C5H8N2.H2O/c1-2-7-4-3-6-5-7;/h3-5H,2H2,1H3;1H2
InChIKeyQUNYFTDVUNSOJE-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.77
Rot. Bonds1

About 1-ethyl-1H-imidazol-1-ium hydroxide

1-ethyl-1H-imidazol-1-ium hydroxide (PubChem CID 160523196) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 1-ethyl-1H-imidazol-1-ium hydroxide.

Molecular Properties

Compound Name1-ethyl-1H-imidazol-1-ium hydroxide
PubChem CID160523196
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name1-ethyl-1H-imidazol-1-ium hydroxide
SMILESCC[NH+]1C=CN=C1.[OH-]
InChIInChI=1S/C5H8N2.H2O/c1-2-7-4-3-6-5-7;/h3-5H,2H2,1H3;1H2
InChIKeyQUNYFTDVUNSOJE-UHFFFAOYSA-N
XLogP-0.77
TPSA46.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1H-imidazol-1-ium hydroxide?
The IUPAC name of 1-ethyl-1H-imidazol-1-ium hydroxide (CID 160523196) is 1-ethyl-1H-imidazol-1-ium hydroxide.
What is the SMILES notation for 1-ethyl-1H-imidazol-1-ium hydroxide?
The canonical SMILES for 1-ethyl-1H-imidazol-1-ium hydroxide is CC[NH+]1C=CN=C1.[OH-].
What is the InChIKey of 1-ethyl-1H-imidazol-1-ium hydroxide?
The InChIKey is QUNYFTDVUNSOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.H2O/c1-2-7-4-3-6-5-7;/h3-5H,2H2,1H3;1H2.
What are the key properties of 1-ethyl-1H-imidazol-1-ium hydroxide?
1-ethyl-1H-imidazol-1-ium hydroxide has a molecular weight of 114.15 g/mol, XLogP of -0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1H-imidazol-1-ium hydroxide is sourced from PubChem (CID 160523196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).