5-[2-(methylamino)ethoxy]-1-propan-2-ylpyridin-2-one

C11H18N2O2 — CID 176690527

IUPAC5-[2-(methylamino)ethoxy]-1-propan-2-ylpyridin-2-one
SMILESCNCCOc1ccc(=O)n(C(C)C)c1
InChIInChI=1S/C11H18N2O2/c1-9(2)13-8-10(4-5-11(13)14)15-7-6-12-3/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeyKGHRWTWXUDXYBJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.03
Rot. Bonds5

About 5-[2-(methylamino)ethoxy]-1-propan-2-ylpyridin-2-one

5-[2-(methylamino)ethoxy]-1-propan-2-ylpyridin-2-one (PubChem CID 176690527) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-[2-(methylamino)ethoxy]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(methylamino)ethoxy]-1-propan-2-ylpyridin-2-one
PubChem CID176690527
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-[2-(methylamino)ethoxy]-1-propan-2-ylpyridin-2-one
SMILESCNCCOc1ccc(=O)n(C(C)C)c1
InChIInChI=1S/C11H18N2O2/c1-9(2)13-8-10(4-5-11(13)14)15-7-6-12-3/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeyKGHRWTWXUDXYBJ-UHFFFAOYSA-N
XLogP1.03
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-(methylamino)ethoxy]-1-propan-2-ylpyridin-2-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 5-[2-(methylamino)ethoxy]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[2-(methylamino)ethoxy]-1-propan-2-ylpyridin-2-one (CID 176690527) is 5-[2-(methylamino)ethoxy]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[2-(methylamino)ethoxy]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[2-(methylamino)ethoxy]-1-propan-2-ylpyridin-2-one is CNCCOc1ccc(=O)n(C(C)C)c1.
What is the InChIKey of 5-[2-(methylamino)ethoxy]-1-propan-2-ylpyridin-2-one?
The InChIKey is KGHRWTWXUDXYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(2)13-8-10(4-5-11(13)14)15-7-6-12-3/h4-5,8-9,12H,6-7H2,1-3H3.
What are the key properties of 5-[2-(methylamino)ethoxy]-1-propan-2-ylpyridin-2-one?
5-[2-(methylamino)ethoxy]-1-propan-2-ylpyridin-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethoxy]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 176690527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).