5-hydroxy-3-(2-methoxyethyl)-6-methyl-3H-pyridin-4-one

C9H13NO3 — CID 67839793

IUPAC5-hydroxy-3-(2-methoxyethyl)-6-methyl-3H-pyridin-4-one
SMILESCOCCC1C=NC(C)=C(O)C1=O
InChIInChI=1S/C9H13NO3/c1-6-8(11)9(12)7(5-10-6)3-4-13-2/h5,7,11H,3-4H2,1-2H3
InChIKeyQYKCDRHQRDWCLZ-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.08
Rot. Bonds3

About 5-hydroxy-3-(2-methoxyethyl)-6-methyl-3H-pyridin-4-one

5-hydroxy-3-(2-methoxyethyl)-6-methyl-3H-pyridin-4-one (PubChem CID 67839793) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-hydroxy-3-(2-methoxyethyl)-6-methyl-3H-pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-3-(2-methoxyethyl)-6-methyl-3H-pyridin-4-one
PubChem CID67839793
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name5-hydroxy-3-(2-methoxyethyl)-6-methyl-3H-pyridin-4-one
SMILESCOCCC1C=NC(C)=C(O)C1=O
InChIInChI=1S/C9H13NO3/c1-6-8(11)9(12)7(5-10-6)3-4-13-2/h5,7,11H,3-4H2,1-2H3
InChIKeyQYKCDRHQRDWCLZ-UHFFFAOYSA-N
XLogP1.08
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(2-methoxyethyl)-6-methyl-3H-pyridin-4-one?
The IUPAC name of 5-hydroxy-3-(2-methoxyethyl)-6-methyl-3H-pyridin-4-one (CID 67839793) is 5-hydroxy-3-(2-methoxyethyl)-6-methyl-3H-pyridin-4-one.
What is the SMILES notation for 5-hydroxy-3-(2-methoxyethyl)-6-methyl-3H-pyridin-4-one?
The canonical SMILES for 5-hydroxy-3-(2-methoxyethyl)-6-methyl-3H-pyridin-4-one is COCCC1C=NC(C)=C(O)C1=O.
What is the InChIKey of 5-hydroxy-3-(2-methoxyethyl)-6-methyl-3H-pyridin-4-one?
The InChIKey is QYKCDRHQRDWCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6-8(11)9(12)7(5-10-6)3-4-13-2/h5,7,11H,3-4H2,1-2H3.
What are the key properties of 5-hydroxy-3-(2-methoxyethyl)-6-methyl-3H-pyridin-4-one?
5-hydroxy-3-(2-methoxyethyl)-6-methyl-3H-pyridin-4-one has a molecular weight of 183.21 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(2-methoxyethyl)-6-methyl-3H-pyridin-4-one is sourced from PubChem (CID 67839793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).