5-hydroxy-1-propan-2-ylpyridin-2-one

C8H11NO2 — CID 91618582

IUPAC5-hydroxy-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(O)ccc1=O
InChIInChI=1S/C8H11NO2/c1-6(2)9-5-7(10)3-4-8(9)11/h3-6,10H,1-2H3
InChIKeySSAZSGXISWQUTI-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.13
Rot. Bonds1

About 5-hydroxy-1-propan-2-ylpyridin-2-one

5-hydroxy-1-propan-2-ylpyridin-2-one (PubChem CID 91618582) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-hydroxy-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-propan-2-ylpyridin-2-one
PubChem CID91618582
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name5-hydroxy-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(O)ccc1=O
InChIInChI=1S/C8H11NO2/c1-6(2)9-5-7(10)3-4-8(9)11/h3-6,10H,1-2H3
InChIKeySSAZSGXISWQUTI-UHFFFAOYSA-N
XLogP1.13
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-hydroxy-1-propan-2-ylpyridin-2-one (CID 91618582) is 5-hydroxy-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-hydroxy-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-hydroxy-1-propan-2-ylpyridin-2-one is CC(C)n1cc(O)ccc1=O.
What is the InChIKey of 5-hydroxy-1-propan-2-ylpyridin-2-one?
The InChIKey is SSAZSGXISWQUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6(2)9-5-7(10)3-4-8(9)11/h3-6,10H,1-2H3.
What are the key properties of 5-hydroxy-1-propan-2-ylpyridin-2-one?
5-hydroxy-1-propan-2-ylpyridin-2-one has a molecular weight of 153.18 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 91618582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).