5-(4-oxocyclohexyl)-1-propylpyridin-2-one

C14H19NO2 — CID 90856102

IUPAC5-(4-oxocyclohexyl)-1-propylpyridin-2-one
SMILESCCCn1cc(C2CCC(=O)CC2)ccc1=O
InChIInChI=1S/C14H19NO2/c1-2-9-15-10-12(5-8-14(15)17)11-3-6-13(16)7-4-11/h5,8,10-11H,2-4,6-7,9H2,1H3
InChIKeyHLWPEXMLZNYKTA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.48
Rot. Bonds3

About 5-(4-oxocyclohexyl)-1-propylpyridin-2-one

5-(4-oxocyclohexyl)-1-propylpyridin-2-one (PubChem CID 90856102) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-(4-oxocyclohexyl)-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-(4-oxocyclohexyl)-1-propylpyridin-2-one
PubChem CID90856102
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name5-(4-oxocyclohexyl)-1-propylpyridin-2-one
SMILESCCCn1cc(C2CCC(=O)CC2)ccc1=O
InChIInChI=1S/C14H19NO2/c1-2-9-15-10-12(5-8-14(15)17)11-3-6-13(16)7-4-11/h5,8,10-11H,2-4,6-7,9H2,1H3
InChIKeyHLWPEXMLZNYKTA-UHFFFAOYSA-N
XLogP2.48
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-oxocyclohexyl)-1-propylpyridin-2-one?
The IUPAC name of 5-(4-oxocyclohexyl)-1-propylpyridin-2-one (CID 90856102) is 5-(4-oxocyclohexyl)-1-propylpyridin-2-one.
What is the SMILES notation for 5-(4-oxocyclohexyl)-1-propylpyridin-2-one?
The canonical SMILES for 5-(4-oxocyclohexyl)-1-propylpyridin-2-one is CCCn1cc(C2CCC(=O)CC2)ccc1=O.
What is the InChIKey of 5-(4-oxocyclohexyl)-1-propylpyridin-2-one?
The InChIKey is HLWPEXMLZNYKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-9-15-10-12(5-8-14(15)17)11-3-6-13(16)7-4-11/h5,8,10-11H,2-4,6-7,9H2,1H3.
What are the key properties of 5-(4-oxocyclohexyl)-1-propylpyridin-2-one?
5-(4-oxocyclohexyl)-1-propylpyridin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-oxocyclohexyl)-1-propylpyridin-2-one is sourced from PubChem (CID 90856102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).