5-ethyl-1-(4-oxocyclohexyl)pyridin-2-one

C13H17NO2 — CID 90857128

IUPAC5-ethyl-1-(4-oxocyclohexyl)pyridin-2-one
SMILESCCc1ccc(=O)n(C2CCC(=O)CC2)c1
InChIInChI=1S/C13H17NO2/c1-2-10-3-8-13(16)14(9-10)11-4-6-12(15)7-5-11/h3,8-9,11H,2,4-7H2,1H3
InChIKeyCHWBMKZITAYTQU-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.09
Rot. Bonds2

About 5-ethyl-1-(4-oxocyclohexyl)pyridin-2-one

5-ethyl-1-(4-oxocyclohexyl)pyridin-2-one (PubChem CID 90857128) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5-ethyl-1-(4-oxocyclohexyl)pyridin-2-one.

Molecular Properties

Compound Name5-ethyl-1-(4-oxocyclohexyl)pyridin-2-one
PubChem CID90857128
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5-ethyl-1-(4-oxocyclohexyl)pyridin-2-one
SMILESCCc1ccc(=O)n(C2CCC(=O)CC2)c1
InChIInChI=1S/C13H17NO2/c1-2-10-3-8-13(16)14(9-10)11-4-6-12(15)7-5-11/h3,8-9,11H,2,4-7H2,1H3
InChIKeyCHWBMKZITAYTQU-UHFFFAOYSA-N
XLogP2.09
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-oxocyclohexyl)pyridin-2-one?
The IUPAC name of 5-ethyl-1-(4-oxocyclohexyl)pyridin-2-one (CID 90857128) is 5-ethyl-1-(4-oxocyclohexyl)pyridin-2-one.
What is the SMILES notation for 5-ethyl-1-(4-oxocyclohexyl)pyridin-2-one?
The canonical SMILES for 5-ethyl-1-(4-oxocyclohexyl)pyridin-2-one is CCc1ccc(=O)n(C2CCC(=O)CC2)c1.
What is the InChIKey of 5-ethyl-1-(4-oxocyclohexyl)pyridin-2-one?
The InChIKey is CHWBMKZITAYTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-10-3-8-13(16)14(9-10)11-4-6-12(15)7-5-11/h3,8-9,11H,2,4-7H2,1H3.
What are the key properties of 5-ethyl-1-(4-oxocyclohexyl)pyridin-2-one?
5-ethyl-1-(4-oxocyclohexyl)pyridin-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-oxocyclohexyl)pyridin-2-one is sourced from PubChem (CID 90857128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).