1-hydroxy-4-methyl-6-propan-2-ylpyridin-2-one

C9H13NO2 — CID 19747084

IUPAC1-hydroxy-4-methyl-6-propan-2-ylpyridin-2-one
SMILESCc1cc(C(C)C)n(O)c(=O)c1
InChIInChI=1S/C9H13NO2/c1-6(2)8-4-7(3)5-9(11)10(8)12/h4-6,12H,1-3H3
InChIKeyDRLDEFRMKJMYLW-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.52
Rot. Bonds1

About 1-hydroxy-4-methyl-6-propan-2-ylpyridin-2-one

1-hydroxy-4-methyl-6-propan-2-ylpyridin-2-one (PubChem CID 19747084) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-hydroxy-4-methyl-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-hydroxy-4-methyl-6-propan-2-ylpyridin-2-one
PubChem CID19747084
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-hydroxy-4-methyl-6-propan-2-ylpyridin-2-one
SMILESCc1cc(C(C)C)n(O)c(=O)c1
InChIInChI=1S/C9H13NO2/c1-6(2)8-4-7(3)5-9(11)10(8)12/h4-6,12H,1-3H3
InChIKeyDRLDEFRMKJMYLW-UHFFFAOYSA-N
XLogP1.52
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-methyl-6-propan-2-ylpyridin-2-one?
The IUPAC name of 1-hydroxy-4-methyl-6-propan-2-ylpyridin-2-one (CID 19747084) is 1-hydroxy-4-methyl-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-hydroxy-4-methyl-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-hydroxy-4-methyl-6-propan-2-ylpyridin-2-one is Cc1cc(C(C)C)n(O)c(=O)c1.
What is the InChIKey of 1-hydroxy-4-methyl-6-propan-2-ylpyridin-2-one?
The InChIKey is DRLDEFRMKJMYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(2)8-4-7(3)5-9(11)10(8)12/h4-6,12H,1-3H3.
What are the key properties of 1-hydroxy-4-methyl-6-propan-2-ylpyridin-2-one?
1-hydroxy-4-methyl-6-propan-2-ylpyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methyl-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 19747084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).