3-ethyl-1H-pyridin-4-one

C7H9NO — CID 15534895

IUPAC3-ethyl-1H-pyridin-4-one
SMILESCCc1c[nH]ccc1=O
InChIInChI=1S/C7H9NO/c1-2-6-5-8-4-3-7(6)9/h3-5H,2H2,1H3,(H,8,9)
InChIKeyGUJWNUGFAGOVFH-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.94
Rot. Bonds1

About 3-ethyl-1H-pyridin-4-one

3-ethyl-1H-pyridin-4-one (PubChem CID 15534895) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 3-ethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-ethyl-1H-pyridin-4-one
PubChem CID15534895
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name3-ethyl-1H-pyridin-4-one
SMILESCCc1c[nH]ccc1=O
InChIInChI=1S/C7H9NO/c1-2-6-5-8-4-3-7(6)9/h3-5H,2H2,1H3,(H,8,9)
InChIKeyGUJWNUGFAGOVFH-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 3-ethyl-1H-pyridin-4-one?
The IUPAC name of 3-ethyl-1H-pyridin-4-one (CID 15534895) is 3-ethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-ethyl-1H-pyridin-4-one?
The canonical SMILES for 3-ethyl-1H-pyridin-4-one is CCc1c[nH]ccc1=O.
What is the InChIKey of 3-ethyl-1H-pyridin-4-one?
The InChIKey is GUJWNUGFAGOVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-6-5-8-4-3-7(6)9/h3-5H,2H2,1H3,(H,8,9).
What are the key properties of 3-ethyl-1H-pyridin-4-one?
3-ethyl-1H-pyridin-4-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 3-ethyl-1H-pyridin-4-one is sourced from PubChem (CID 15534895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).