5-ethyl-3-methyl-1H-pyridin-2-one

C8H11NO — CID 20872605

IUPAC5-ethyl-3-methyl-1H-pyridin-2-one
SMILESCCc1c[nH]c(=O)c(C)c1
InChIInChI=1S/C8H11NO/c1-3-7-4-6(2)8(10)9-5-7/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyCJDIIGDBILGXCL-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.25
Rot. Bonds1

About 5-ethyl-3-methyl-1H-pyridin-2-one

5-ethyl-3-methyl-1H-pyridin-2-one (PubChem CID 20872605) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 5-ethyl-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-ethyl-3-methyl-1H-pyridin-2-one
PubChem CID20872605
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name5-ethyl-3-methyl-1H-pyridin-2-one
SMILESCCc1c[nH]c(=O)c(C)c1
InChIInChI=1S/C8H11NO/c1-3-7-4-6(2)8(10)9-5-7/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyCJDIIGDBILGXCL-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-ethyl-3-methyl-1H-pyridin-2-one (CID 20872605) is 5-ethyl-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-ethyl-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-ethyl-3-methyl-1H-pyridin-2-one is CCc1c[nH]c(=O)c(C)c1.
What is the InChIKey of 5-ethyl-3-methyl-1H-pyridin-2-one?
The InChIKey is CJDIIGDBILGXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-7-4-6(2)8(10)9-5-7/h4-5H,3H2,1-2H3,(H,9,10).
What are the key properties of 5-ethyl-3-methyl-1H-pyridin-2-one?
5-ethyl-3-methyl-1H-pyridin-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 20872605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).