4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one

C9H13NO3 — CID 54680651

IUPAC4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
SMILESCOCCn1c(C)cc(O)cc1=O
InChIInChI=1S/C9H13NO3/c1-7-5-8(11)6-9(12)10(7)3-4-13-2/h5-6,11H,3-4H2,1-2H3
InChIKeyJFVRIWBAXGSAAX-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.51
Rot. Bonds3

About 4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one

4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one (PubChem CID 54680651) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
PubChem CID54680651
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
SMILESCOCCn1c(C)cc(O)cc1=O
InChIInChI=1S/C9H13NO3/c1-7-5-8(11)6-9(12)10(7)3-4-13-2/h5-6,11H,3-4H2,1-2H3
InChIKeyJFVRIWBAXGSAAX-UHFFFAOYSA-N
XLogP0.51
TPSA51.46 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 ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one (CID 54680651) is 4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The canonical SMILES for 4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one is COCCn1c(C)cc(O)cc1=O.
What is the InChIKey of 4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The InChIKey is JFVRIWBAXGSAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-7-5-8(11)6-9(12)10(7)3-4-13-2/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one has a molecular weight of 183.21 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one is sourced from PubChem (CID 54680651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).