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

C8H11NO — CID 21358918

IUPAC4-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1cc[nH]c(=O)c1
InChIInChI=1S/C8H11NO/c1-6(2)7-3-4-9-8(10)5-7/h3-6H,1-2H3,(H,9,10)
InChIKeyCFZJBSVXWSTBNO-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.50
Rot. Bonds1

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

4-propan-2-yl-1H-pyridin-2-one (PubChem CID 21358918) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-1H-pyridin-2-one
PubChem CID21358918
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1cc[nH]c(=O)c1
InChIInChI=1S/C8H11NO/c1-6(2)7-3-4-9-8(10)5-7/h3-6H,1-2H3,(H,9,10)
InChIKeyCFZJBSVXWSTBNO-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 4-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 4-propan-2-yl-1H-pyridin-2-one (CID 21358918) is 4-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4-propan-2-yl-1H-pyridin-2-one is CC(C)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-propan-2-yl-1H-pyridin-2-one?
The InChIKey is CFZJBSVXWSTBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6(2)7-3-4-9-8(10)5-7/h3-6H,1-2H3,(H,9,10).
What are the key properties of 4-propan-2-yl-1H-pyridin-2-one?
4-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 4-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 21358918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).