2-(hydroxymethyl)-6-methoxy-6-methylpyridin-3-one

C8H11NO3 — CID 155932656

IUPAC2-(hydroxymethyl)-6-methoxy-6-methylpyridin-3-one
SMILESCOC1(C)C=CC(=O)C(CO)=N1
InChIInChI=1S/C8H11NO3/c1-8(12-2)4-3-7(11)6(5-10)9-8/h3-4,10H,5H2,1-2H3
InChIKeyNEBOCNSYPKHOPB-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.08
Rot. Bonds2

About 2-(hydroxymethyl)-6-methoxy-6-methylpyridin-3-one

2-(hydroxymethyl)-6-methoxy-6-methylpyridin-3-one (PubChem CID 155932656) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methoxy-6-methylpyridin-3-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methoxy-6-methylpyridin-3-one
PubChem CID155932656
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(hydroxymethyl)-6-methoxy-6-methylpyridin-3-one
SMILESCOC1(C)C=CC(=O)C(CO)=N1
InChIInChI=1S/C8H11NO3/c1-8(12-2)4-3-7(11)6(5-10)9-8/h3-4,10H,5H2,1-2H3
InChIKeyNEBOCNSYPKHOPB-UHFFFAOYSA-N
XLogP-0.08
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-methoxy-6-methylpyridin-3-one?
The IUPAC name of 2-(hydroxymethyl)-6-methoxy-6-methylpyridin-3-one (CID 155932656) is 2-(hydroxymethyl)-6-methoxy-6-methylpyridin-3-one.
What is the SMILES notation for 2-(hydroxymethyl)-6-methoxy-6-methylpyridin-3-one?
The canonical SMILES for 2-(hydroxymethyl)-6-methoxy-6-methylpyridin-3-one is COC1(C)C=CC(=O)C(CO)=N1.
What is the InChIKey of 2-(hydroxymethyl)-6-methoxy-6-methylpyridin-3-one?
The InChIKey is NEBOCNSYPKHOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-8(12-2)4-3-7(11)6(5-10)9-8/h3-4,10H,5H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-6-methoxy-6-methylpyridin-3-one?
2-(hydroxymethyl)-6-methoxy-6-methylpyridin-3-one has a molecular weight of 169.18 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-methoxy-6-methylpyridin-3-one is sourced from PubChem (CID 155932656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).