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

C9H13NO2 — CID 59276133

IUPAC1-(2-hydroxypropyl)-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(CC(C)O)c1
InChIInChI=1S/C9H13NO2/c1-7-3-4-9(12)10(5-7)6-8(2)11/h3-5,8,11H,6H2,1-2H3
InChIKeyNEXXAFQKCPTTSG-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.54
Rot. Bonds2

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

1-(2-hydroxypropyl)-5-methylpyridin-2-one (PubChem CID 59276133) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-5-methylpyridin-2-one
PubChem CID59276133
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(2-hydroxypropyl)-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(CC(C)O)c1
InChIInChI=1S/C9H13NO2/c1-7-3-4-9(12)10(5-7)6-8(2)11/h3-5,8,11H,6H2,1-2H3
InChIKeyNEXXAFQKCPTTSG-UHFFFAOYSA-N
XLogP0.54
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-5-methylpyridin-2-one?
The IUPAC name of 1-(2-hydroxypropyl)-5-methylpyridin-2-one (CID 59276133) is 1-(2-hydroxypropyl)-5-methylpyridin-2-one.
What is the SMILES notation for 1-(2-hydroxypropyl)-5-methylpyridin-2-one?
The canonical SMILES for 1-(2-hydroxypropyl)-5-methylpyridin-2-one is Cc1ccc(=O)n(CC(C)O)c1.
What is the InChIKey of 1-(2-hydroxypropyl)-5-methylpyridin-2-one?
The InChIKey is NEXXAFQKCPTTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7-3-4-9(12)10(5-7)6-8(2)11/h3-5,8,11H,6H2,1-2H3.
What are the key properties of 1-(2-hydroxypropyl)-5-methylpyridin-2-one?
1-(2-hydroxypropyl)-5-methylpyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-5-methylpyridin-2-one is sourced from PubChem (CID 59276133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).