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

C8H11NO — CID 20605553

IUPAC3-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc[nH]c1=O
InChIInChI=1S/C8H11NO/c1-6(2)7-4-3-5-9-8(7)10/h3-6H,1-2H3,(H,9,10)
InChIKeyQADLIMTUDQPESU-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.50
Rot. Bonds1

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

3-propan-2-yl-1H-pyridin-2-one (PubChem CID 20605553) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-propan-2-yl-1H-pyridin-2-one
PubChem CID20605553
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc[nH]c1=O
InChIInChI=1S/C8H11NO/c1-6(2)7-4-3-5-9-8(7)10/h3-6H,1-2H3,(H,9,10)
InChIKeyQADLIMTUDQPESU-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 3-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-propan-2-yl-1H-pyridin-2-one (CID 20605553) is 3-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-propan-2-yl-1H-pyridin-2-one is CC(C)c1ccc[nH]c1=O.
What is the InChIKey of 3-propan-2-yl-1H-pyridin-2-one?
The InChIKey is QADLIMTUDQPESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6(2)7-4-3-5-9-8(7)10/h3-6H,1-2H3,(H,9,10).
What are the key properties of 3-propan-2-yl-1H-pyridin-2-one?
3-propan-2-yl-1H-pyridin-2-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 3-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 20605553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).