1-(hydroxymethyl)-3,5-dimethylpyridin-4-one

C8H11NO2 — CID 154455274

IUPAC1-(hydroxymethyl)-3,5-dimethylpyridin-4-one
SMILESCc1cn(CO)cc(C)c1=O
InChIInChI=1S/C8H11NO2/c1-6-3-9(5-10)4-7(2)8(6)11/h3-4,10H,5H2,1-2H3
InChIKeyNJTCNRFOOJTOLC-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.41
Rot. Bonds1

About 1-(hydroxymethyl)-3,5-dimethylpyridin-4-one

1-(hydroxymethyl)-3,5-dimethylpyridin-4-one (PubChem CID 154455274) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3,5-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(hydroxymethyl)-3,5-dimethylpyridin-4-one
PubChem CID154455274
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-(hydroxymethyl)-3,5-dimethylpyridin-4-one
SMILESCc1cn(CO)cc(C)c1=O
InChIInChI=1S/C8H11NO2/c1-6-3-9(5-10)4-7(2)8(6)11/h3-4,10H,5H2,1-2H3
InChIKeyNJTCNRFOOJTOLC-UHFFFAOYSA-N
XLogP0.41
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-3,5-dimethylpyridin-4-one?
The IUPAC name of 1-(hydroxymethyl)-3,5-dimethylpyridin-4-one (CID 154455274) is 1-(hydroxymethyl)-3,5-dimethylpyridin-4-one.
What is the SMILES notation for 1-(hydroxymethyl)-3,5-dimethylpyridin-4-one?
The canonical SMILES for 1-(hydroxymethyl)-3,5-dimethylpyridin-4-one is Cc1cn(CO)cc(C)c1=O.
What is the InChIKey of 1-(hydroxymethyl)-3,5-dimethylpyridin-4-one?
The InChIKey is NJTCNRFOOJTOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-3-9(5-10)4-7(2)8(6)11/h3-4,10H,5H2,1-2H3.
What are the key properties of 1-(hydroxymethyl)-3,5-dimethylpyridin-4-one?
1-(hydroxymethyl)-3,5-dimethylpyridin-4-one has a molecular weight of 153.18 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3,5-dimethylpyridin-4-one is sourced from PubChem (CID 154455274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).