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

C12H20N2O2 — CID 70844851

IUPAC5-[2-(dimethylamino)ethoxy]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(OCCN(C)C)ccc1=O
InChIInChI=1S/C12H20N2O2/c1-10(2)14-9-11(5-6-12(14)15)16-8-7-13(3)4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyIFEWHBZFHJQHKM-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.37
Rot. Bonds5

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

5-[2-(dimethylamino)ethoxy]-1-propan-2-ylpyridin-2-one (PubChem CID 70844851) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethoxy]-1-propan-2-ylpyridin-2-one
PubChem CID70844851
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-[2-(dimethylamino)ethoxy]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(OCCN(C)C)ccc1=O
InChIInChI=1S/C12H20N2O2/c1-10(2)14-9-11(5-6-12(14)15)16-8-7-13(3)4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyIFEWHBZFHJQHKM-UHFFFAOYSA-N
XLogP1.37
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[2-(dimethylamino)ethoxy]-1-propan-2-ylpyridin-2-one (CID 70844851) is 5-[2-(dimethylamino)ethoxy]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethoxy]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[2-(dimethylamino)ethoxy]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(OCCN(C)C)ccc1=O.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]-1-propan-2-ylpyridin-2-one?
The InChIKey is IFEWHBZFHJQHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(2)14-9-11(5-6-12(14)15)16-8-7-13(3)4/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 5-[2-(dimethylamino)ethoxy]-1-propan-2-ylpyridin-2-one?
5-[2-(dimethylamino)ethoxy]-1-propan-2-ylpyridin-2-one has a molecular weight of 224.30 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethoxy]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 70844851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).