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

C7H9NO — CID 19365871

IUPAC5-ethyl-1H-pyridin-2-one
SMILESCCc1ccc(=O)[nH]c1
InChIInChI=1S/C7H9NO/c1-2-6-3-4-7(9)8-5-6/h3-5H,2H2,1H3,(H,8,9)
InChIKeyORMQFHJGBAPKHK-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.94
Rot. Bonds1

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

5-ethyl-1H-pyridin-2-one (PubChem CID 19365871) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 5-ethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-ethyl-1H-pyridin-2-one
PubChem CID19365871
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name5-ethyl-1H-pyridin-2-one
SMILESCCc1ccc(=O)[nH]c1
InChIInChI=1S/C7H9NO/c1-2-6-3-4-7(9)8-5-6/h3-5H,2H2,1H3,(H,8,9)
InChIKeyORMQFHJGBAPKHK-UHFFFAOYSA-N
XLogP0.94
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1H-pyridin-2-one?
The IUPAC name of 5-ethyl-1H-pyridin-2-one (CID 19365871) is 5-ethyl-1H-pyridin-2-one.
What is the SMILES notation for 5-ethyl-1H-pyridin-2-one?
The canonical SMILES for 5-ethyl-1H-pyridin-2-one is CCc1ccc(=O)[nH]c1.
What is the InChIKey of 5-ethyl-1H-pyridin-2-one?
The InChIKey is ORMQFHJGBAPKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-6-3-4-7(9)8-5-6/h3-5H,2H2,1H3,(H,8,9).
What are the key properties of 5-ethyl-1H-pyridin-2-one?
5-ethyl-1H-pyridin-2-one has a molecular weight of 123.15 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1H-pyridin-2-one is sourced from PubChem (CID 19365871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).