5-acetyl-6-ethyl-1-(oxan-2-yl)pyridin-2-one

C14H19NO3 — CID 123748830

IUPAC5-acetyl-6-ethyl-1-(oxan-2-yl)pyridin-2-one
SMILESCCc1c(C(C)=O)ccc(=O)n1C1CCCCO1
InChIInChI=1S/C14H19NO3/c1-3-12-11(10(2)16)7-8-13(17)15(12)14-6-4-5-9-18-14/h7-8,14H,3-6,9H2,1-2H3
InChIKeyKLXNRVJRNWVKSH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.31
Rot. Bonds3

About 5-acetyl-6-ethyl-1-(oxan-2-yl)pyridin-2-one

5-acetyl-6-ethyl-1-(oxan-2-yl)pyridin-2-one (PubChem CID 123748830) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-acetyl-6-ethyl-1-(oxan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-6-ethyl-1-(oxan-2-yl)pyridin-2-one
PubChem CID123748830
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-acetyl-6-ethyl-1-(oxan-2-yl)pyridin-2-one
SMILESCCc1c(C(C)=O)ccc(=O)n1C1CCCCO1
InChIInChI=1S/C14H19NO3/c1-3-12-11(10(2)16)7-8-13(17)15(12)14-6-4-5-9-18-14/h7-8,14H,3-6,9H2,1-2H3
InChIKeyKLXNRVJRNWVKSH-UHFFFAOYSA-N
XLogP2.31
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-ethyl-1-(oxan-2-yl)pyridin-2-one?
The IUPAC name of 5-acetyl-6-ethyl-1-(oxan-2-yl)pyridin-2-one (CID 123748830) is 5-acetyl-6-ethyl-1-(oxan-2-yl)pyridin-2-one.
What is the SMILES notation for 5-acetyl-6-ethyl-1-(oxan-2-yl)pyridin-2-one?
The canonical SMILES for 5-acetyl-6-ethyl-1-(oxan-2-yl)pyridin-2-one is CCc1c(C(C)=O)ccc(=O)n1C1CCCCO1.
What is the InChIKey of 5-acetyl-6-ethyl-1-(oxan-2-yl)pyridin-2-one?
The InChIKey is KLXNRVJRNWVKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-12-11(10(2)16)7-8-13(17)15(12)14-6-4-5-9-18-14/h7-8,14H,3-6,9H2,1-2H3.
What are the key properties of 5-acetyl-6-ethyl-1-(oxan-2-yl)pyridin-2-one?
5-acetyl-6-ethyl-1-(oxan-2-yl)pyridin-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-ethyl-1-(oxan-2-yl)pyridin-2-one is sourced from PubChem (CID 123748830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).