3-hydroxy-2-propan-2-yl-1H-pyridin-4-one

C8H11NO2 — CID 84649750

IUPAC3-hydroxy-2-propan-2-yl-1H-pyridin-4-one
SMILESCC(C)c1[nH]ccc(=O)c1O
InChIInChI=1S/C8H11NO2/c1-5(2)7-8(11)6(10)3-4-9-7/h3-5,11H,1-2H3,(H,9,10)
InChIKeyFFGPBYZTMUGHDT-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.20
Rot. Bonds1

About 3-hydroxy-2-propan-2-yl-1H-pyridin-4-one

3-hydroxy-2-propan-2-yl-1H-pyridin-4-one (PubChem CID 84649750) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-hydroxy-2-propan-2-yl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-propan-2-yl-1H-pyridin-4-one
PubChem CID84649750
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-hydroxy-2-propan-2-yl-1H-pyridin-4-one
SMILESCC(C)c1[nH]ccc(=O)c1O
InChIInChI=1S/C8H11NO2/c1-5(2)7-8(11)6(10)3-4-9-7/h3-5,11H,1-2H3,(H,9,10)
InChIKeyFFGPBYZTMUGHDT-UHFFFAOYSA-N
XLogP1.20
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-propan-2-yl-1H-pyridin-4-one?
The IUPAC name of 3-hydroxy-2-propan-2-yl-1H-pyridin-4-one (CID 84649750) is 3-hydroxy-2-propan-2-yl-1H-pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-propan-2-yl-1H-pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-propan-2-yl-1H-pyridin-4-one is CC(C)c1[nH]ccc(=O)c1O.
What is the InChIKey of 3-hydroxy-2-propan-2-yl-1H-pyridin-4-one?
The InChIKey is FFGPBYZTMUGHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5(2)7-8(11)6(10)3-4-9-7/h3-5,11H,1-2H3,(H,9,10).
What are the key properties of 3-hydroxy-2-propan-2-yl-1H-pyridin-4-one?
3-hydroxy-2-propan-2-yl-1H-pyridin-4-one has a molecular weight of 153.18 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-propan-2-yl-1H-pyridin-4-one is sourced from PubChem (CID 84649750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).