5-(hydroxymethyl)-1-methylpyridin-2-one

C7H9NO2 — CID 57415860

IUPAC5-(hydroxymethyl)-1-methylpyridin-2-one
SMILESCn1cc(CO)ccc1=O
InChIInChI=1S/C7H9NO2/c1-8-4-6(5-9)2-3-7(8)10/h2-4,9H,5H2,1H3
InChIKeyJTHPCDBYSXVGFM-UHFFFAOYSA-N
MW139.15 g/mol
LogP-0.12
Rot. Bonds1

About 5-(hydroxymethyl)-1-methylpyridin-2-one

5-(hydroxymethyl)-1-methylpyridin-2-one (PubChem CID 57415860) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-methylpyridin-2-one
PubChem CID57415860
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name5-(hydroxymethyl)-1-methylpyridin-2-one
SMILESCn1cc(CO)ccc1=O
InChIInChI=1S/C7H9NO2/c1-8-4-6(5-9)2-3-7(8)10/h2-4,9H,5H2,1H3
InChIKeyJTHPCDBYSXVGFM-UHFFFAOYSA-N
XLogP-0.12
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-methylpyridin-2-one?
The IUPAC name of 5-(hydroxymethyl)-1-methylpyridin-2-one (CID 57415860) is 5-(hydroxymethyl)-1-methylpyridin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-1-methylpyridin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-1-methylpyridin-2-one is Cn1cc(CO)ccc1=O.
What is the InChIKey of 5-(hydroxymethyl)-1-methylpyridin-2-one?
The InChIKey is JTHPCDBYSXVGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-8-4-6(5-9)2-3-7(8)10/h2-4,9H,5H2,1H3.
What are the key properties of 5-(hydroxymethyl)-1-methylpyridin-2-one?
5-(hydroxymethyl)-1-methylpyridin-2-one has a molecular weight of 139.15 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-methylpyridin-2-one is sourced from PubChem (CID 57415860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).