4-hydroxy-1-(2-methylpropyl)pyridin-2-one

C9H13NO2 — CID 105433433

IUPAC4-hydroxy-1-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cn1ccc(O)cc1=O
InChIInChI=1S/C9H13NO2/c1-7(2)6-10-4-3-8(11)5-9(10)12/h3-5,7,11H,6H2,1-2H3
InChIKeyDMDSFLKSDMFIQA-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.21
Rot. Bonds2

About 4-hydroxy-1-(2-methylpropyl)pyridin-2-one

4-hydroxy-1-(2-methylpropyl)pyridin-2-one (PubChem CID 105433433) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-methylpropyl)pyridin-2-one
PubChem CID105433433
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-hydroxy-1-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cn1ccc(O)cc1=O
InChIInChI=1S/C9H13NO2/c1-7(2)6-10-4-3-8(11)5-9(10)12/h3-5,7,11H,6H2,1-2H3
InChIKeyDMDSFLKSDMFIQA-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 4-hydroxy-1-(2-methylpropyl)pyridin-2-one (CID 105433433) is 4-hydroxy-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 4-hydroxy-1-(2-methylpropyl)pyridin-2-one is CC(C)Cn1ccc(O)cc1=O.
What is the InChIKey of 4-hydroxy-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is DMDSFLKSDMFIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7(2)6-10-4-3-8(11)5-9(10)12/h3-5,7,11H,6H2,1-2H3.
What are the key properties of 4-hydroxy-1-(2-methylpropyl)pyridin-2-one?
4-hydroxy-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 105433433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).