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

C8H11NO2 — CID 118460220

IUPAC4-hydroxy-2-propan-2-yl-4H-pyridin-3-one
SMILESCC(C)C1=NC=CC(O)C1=O
InChIInChI=1S/C8H11NO2/c1-5(2)7-8(11)6(10)3-4-9-7/h3-6,10H,1-2H3
InChIKeyGOXGTSULOXQSTD-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.54
Rot. Bonds1

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

4-hydroxy-2-propan-2-yl-4H-pyridin-3-one (PubChem CID 118460220) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-hydroxy-2-propan-2-yl-4H-pyridin-3-one.

Molecular Properties

Compound Name4-hydroxy-2-propan-2-yl-4H-pyridin-3-one
PubChem CID118460220
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-hydroxy-2-propan-2-yl-4H-pyridin-3-one
SMILESCC(C)C1=NC=CC(O)C1=O
InChIInChI=1S/C8H11NO2/c1-5(2)7-8(11)6(10)3-4-9-7/h3-6,10H,1-2H3
InChIKeyGOXGTSULOXQSTD-UHFFFAOYSA-N
XLogP0.54
TPSA49.66 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 ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-propan-2-yl-4H-pyridin-3-one?
The IUPAC name of 4-hydroxy-2-propan-2-yl-4H-pyridin-3-one (CID 118460220) is 4-hydroxy-2-propan-2-yl-4H-pyridin-3-one.
What is the SMILES notation for 4-hydroxy-2-propan-2-yl-4H-pyridin-3-one?
The canonical SMILES for 4-hydroxy-2-propan-2-yl-4H-pyridin-3-one is CC(C)C1=NC=CC(O)C1=O.
What is the InChIKey of 4-hydroxy-2-propan-2-yl-4H-pyridin-3-one?
The InChIKey is GOXGTSULOXQSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5(2)7-8(11)6(10)3-4-9-7/h3-6,10H,1-2H3.
What are the key properties of 4-hydroxy-2-propan-2-yl-4H-pyridin-3-one?
4-hydroxy-2-propan-2-yl-4H-pyridin-3-one has a molecular weight of 153.18 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-propan-2-yl-4H-pyridin-3-one is sourced from PubChem (CID 118460220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).