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

C8H11NO — CID 21064612

IUPAC2-propan-2-yl-1H-pyridin-4-one
SMILESCC(C)c1cc(=O)cc[nH]1
InChIInChI=1S/C8H11NO/c1-6(2)8-5-7(10)3-4-9-8/h3-6H,1-2H3,(H,9,10)
InChIKeyCKPSUTAKOGJLPU-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.50
Rot. Bonds1

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

2-propan-2-yl-1H-pyridin-4-one (PubChem CID 21064612) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-propan-2-yl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-propan-2-yl-1H-pyridin-4-one
PubChem CID21064612
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-propan-2-yl-1H-pyridin-4-one
SMILESCC(C)c1cc(=O)cc[nH]1
InChIInChI=1S/C8H11NO/c1-6(2)8-5-7(10)3-4-9-8/h3-6H,1-2H3,(H,9,10)
InChIKeyCKPSUTAKOGJLPU-UHFFFAOYSA-N
XLogP1.50
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-pyridin-4-one?
The IUPAC name of 2-propan-2-yl-1H-pyridin-4-one (CID 21064612) is 2-propan-2-yl-1H-pyridin-4-one.
What is the SMILES notation for 2-propan-2-yl-1H-pyridin-4-one?
The canonical SMILES for 2-propan-2-yl-1H-pyridin-4-one is CC(C)c1cc(=O)cc[nH]1.
What is the InChIKey of 2-propan-2-yl-1H-pyridin-4-one?
The InChIKey is CKPSUTAKOGJLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6(2)8-5-7(10)3-4-9-8/h3-6H,1-2H3,(H,9,10).
What are the key properties of 2-propan-2-yl-1H-pyridin-4-one?
2-propan-2-yl-1H-pyridin-4-one has a molecular weight of 137.18 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-pyridin-4-one is sourced from PubChem (CID 21064612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).