5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-4-one

C12H20N2O3 — CID 82218251

IUPAC5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-4-one
SMILESCC(C)n1cc(O)c(=O)cc1CN(C)CCO
InChIInChI=1S/C12H20N2O3/c1-9(2)14-8-12(17)11(16)6-10(14)7-13(3)4-5-15/h6,8-9,15,17H,4-5,7H2,1-3H3
InChIKeyZGBXEINREZQCRW-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.56
Rot. Bonds5

About 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-4-one

5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-4-one (PubChem CID 82218251) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-4-one
PubChem CID82218251
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-4-one
SMILESCC(C)n1cc(O)c(=O)cc1CN(C)CCO
InChIInChI=1S/C12H20N2O3/c1-9(2)14-8-12(17)11(16)6-10(14)7-13(3)4-5-15/h6,8-9,15,17H,4-5,7H2,1-3H3
InChIKeyZGBXEINREZQCRW-UHFFFAOYSA-N
XLogP0.56
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-4-one?
The IUPAC name of 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-4-one (CID 82218251) is 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-4-one.
What is the SMILES notation for 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-4-one?
The canonical SMILES for 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-4-one is CC(C)n1cc(O)c(=O)cc1CN(C)CCO.
What is the InChIKey of 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-4-one?
The InChIKey is ZGBXEINREZQCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9(2)14-8-12(17)11(16)6-10(14)7-13(3)4-5-15/h6,8-9,15,17H,4-5,7H2,1-3H3.
What are the key properties of 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-4-one?
5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-4-one has a molecular weight of 240.30 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-4-one is sourced from PubChem (CID 82218251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).