2-hydroxyethyl(trimethyl)azanium;1H-pyridin-4-one

C10H19N2O2+ — CID 175509346

IUPAC2-hydroxyethyl(trimethyl)azanium;1H-pyridin-4-one
SMILESC[N+](C)(C)CCO.O=c1cc[nH]cc1
InChIInChI=1S/C5H5NO.C5H14NO/c7-5-1-3-6-4-2-5;1-6(2,3)4-5-7/h1-4H,(H,6,7);7H,4-5H2,1-3H3/q;+1
InChIKeyWFOGIRPLEXSNQR-UHFFFAOYSA-N
MW199.27 g/mol
LogP0.06
Rot. Bonds2

About 2-hydroxyethyl(trimethyl)azanium;1H-pyridin-4-one

2-hydroxyethyl(trimethyl)azanium;1H-pyridin-4-one (PubChem CID 175509346) has the molecular formula C10H19N2O2+ and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;1H-pyridin-4-one.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;1H-pyridin-4-one
PubChem CID175509346
Molecular FormulaC10H19N2O2+
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name2-hydroxyethyl(trimethyl)azanium;1H-pyridin-4-one
SMILESC[N+](C)(C)CCO.O=c1cc[nH]cc1
InChIInChI=1S/C5H5NO.C5H14NO/c7-5-1-3-6-4-2-5;1-6(2,3)4-5-7/h1-4H,(H,6,7);7H,4-5H2,1-3H3/q;+1
InChIKeyWFOGIRPLEXSNQR-UHFFFAOYSA-N
XLogP0.06
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hydroxyethyl(trimethyl)azanium;1H-pyridin-4-one 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-hydroxyethyl(trimethyl)azanium;1H-pyridin-4-one?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;1H-pyridin-4-one (CID 175509346) is 2-hydroxyethyl(trimethyl)azanium;1H-pyridin-4-one.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;1H-pyridin-4-one?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;1H-pyridin-4-one is C[N+](C)(C)CCO.O=c1cc[nH]cc1.
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;1H-pyridin-4-one?
The InChIKey is WFOGIRPLEXSNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.C5H14NO/c7-5-1-3-6-4-2-5;1-6(2,3)4-5-7/h1-4H,(H,6,7);7H,4-5H2,1-3H3/q;+1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;1H-pyridin-4-one?
2-hydroxyethyl(trimethyl)azanium;1H-pyridin-4-one has a molecular weight of 199.27 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;1H-pyridin-4-one is sourced from PubChem (CID 175509346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).