5-(hydroxymethyl)-4-methyl-1H-pyridin-2-one

C7H9NO2 — CID 58047357

IUPAC5-(hydroxymethyl)-4-methyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1CO
InChIInChI=1S/C7H9NO2/c1-5-2-7(10)8-3-6(5)4-9/h2-3,9H,4H2,1H3,(H,8,10)
InChIKeyHTQONTJLTQBKGU-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.18
Rot. Bonds1

About 5-(hydroxymethyl)-4-methyl-1H-pyridin-2-one

5-(hydroxymethyl)-4-methyl-1H-pyridin-2-one (PubChem CID 58047357) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-methyl-1H-pyridin-2-one
PubChem CID58047357
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name5-(hydroxymethyl)-4-methyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1CO
InChIInChI=1S/C7H9NO2/c1-5-2-7(10)8-3-6(5)4-9/h2-3,9H,4H2,1H3,(H,8,10)
InChIKeyHTQONTJLTQBKGU-UHFFFAOYSA-N
XLogP0.18
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-methyl-1H-pyridin-2-one?
The IUPAC name of 5-(hydroxymethyl)-4-methyl-1H-pyridin-2-one (CID 58047357) is 5-(hydroxymethyl)-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-4-methyl-1H-pyridin-2-one is Cc1cc(=O)[nH]cc1CO.
What is the InChIKey of 5-(hydroxymethyl)-4-methyl-1H-pyridin-2-one?
The InChIKey is HTQONTJLTQBKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5-2-7(10)8-3-6(5)4-9/h2-3,9H,4H2,1H3,(H,8,10).
What are the key properties of 5-(hydroxymethyl)-4-methyl-1H-pyridin-2-one?
5-(hydroxymethyl)-4-methyl-1H-pyridin-2-one has a molecular weight of 139.15 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 58047357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).