(2-hydroxy-3-oxopentyl)-trimethylazanium;1H-imidazole

C11H22N3O2+ — CID 118395063

IUPAC(2-hydroxy-3-oxopentyl)-trimethylazanium;1H-imidazole
SMILESCCC(=O)C(O)C[N+](C)(C)C.c1c[nH]cn1
InChIInChI=1S/C8H18NO2.C3H4N2/c1-5-7(10)8(11)6-9(2,3)4;1-2-5-3-4-1/h8,11H,5-6H2,1-4H3;1-3H,(H,4,5)/q+1;
InChIKeyWDQMUENBMYHBRI-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.44
Rot. Bonds4

About (2-hydroxy-3-oxopentyl)-trimethylazanium;1H-imidazole

(2-hydroxy-3-oxopentyl)-trimethylazanium;1H-imidazole (PubChem CID 118395063) has the molecular formula C11H22N3O2+ and a molecular weight of 228.32 g/mol. Its IUPAC name is (2-hydroxy-3-oxopentyl)-trimethylazanium;1H-imidazole.

Molecular Properties

Compound Name(2-hydroxy-3-oxopentyl)-trimethylazanium;1H-imidazole
PubChem CID118395063
Molecular FormulaC11H22N3O2+
Molecular Weight228.32 g/mol
Exact Mass228.17
IUPAC Name(2-hydroxy-3-oxopentyl)-trimethylazanium;1H-imidazole
SMILESCCC(=O)C(O)C[N+](C)(C)C.c1c[nH]cn1
InChIInChI=1S/C8H18NO2.C3H4N2/c1-5-7(10)8(11)6-9(2,3)4;1-2-5-3-4-1/h8,11H,5-6H2,1-4H3;1-3H,(H,4,5)/q+1;
InChIKeyWDQMUENBMYHBRI-UHFFFAOYSA-N
XLogP0.44
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (2-hydroxy-3-oxopentyl)-trimethylazanium;1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-oxopentyl)-trimethylazanium;1H-imidazole?
The IUPAC name of (2-hydroxy-3-oxopentyl)-trimethylazanium;1H-imidazole (CID 118395063) is (2-hydroxy-3-oxopentyl)-trimethylazanium;1H-imidazole.
What is the SMILES notation for (2-hydroxy-3-oxopentyl)-trimethylazanium;1H-imidazole?
The canonical SMILES for (2-hydroxy-3-oxopentyl)-trimethylazanium;1H-imidazole is CCC(=O)C(O)C[N+](C)(C)C.c1c[nH]cn1.
What is the InChIKey of (2-hydroxy-3-oxopentyl)-trimethylazanium;1H-imidazole?
The InChIKey is WDQMUENBMYHBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO2.C3H4N2/c1-5-7(10)8(11)6-9(2,3)4;1-2-5-3-4-1/h8,11H,5-6H2,1-4H3;1-3H,(H,4,5)/q+1;.
What are the key properties of (2-hydroxy-3-oxopentyl)-trimethylazanium;1H-imidazole?
(2-hydroxy-3-oxopentyl)-trimethylazanium;1H-imidazole has a molecular weight of 228.32 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-oxopentyl)-trimethylazanium;1H-imidazole is sourced from PubChem (CID 118395063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).