5-ethyl-6-hydroxy-4-methyl-1-octylpyridin-2-one

C16H27NO2 — CID 57116192

IUPAC5-ethyl-6-hydroxy-4-methyl-1-octylpyridin-2-one
SMILESCCCCCCCCn1c(O)c(CC)c(C)cc1=O
InChIInChI=1S/C16H27NO2/c1-4-6-7-8-9-10-11-17-15(18)12-13(3)14(5-2)16(17)19/h12,19H,4-11H2,1-3H3
InChIKeyFPKZEIVSBFBFTE-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.79
Rot. Bonds8

About 5-ethyl-6-hydroxy-4-methyl-1-octylpyridin-2-one

5-ethyl-6-hydroxy-4-methyl-1-octylpyridin-2-one (PubChem CID 57116192) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-4-methyl-1-octylpyridin-2-one.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-4-methyl-1-octylpyridin-2-one
PubChem CID57116192
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name5-ethyl-6-hydroxy-4-methyl-1-octylpyridin-2-one
SMILESCCCCCCCCn1c(O)c(CC)c(C)cc1=O
InChIInChI=1S/C16H27NO2/c1-4-6-7-8-9-10-11-17-15(18)12-13(3)14(5-2)16(17)19/h12,19H,4-11H2,1-3H3
InChIKeyFPKZEIVSBFBFTE-UHFFFAOYSA-N
XLogP3.79
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-4-methyl-1-octylpyridin-2-one?
The IUPAC name of 5-ethyl-6-hydroxy-4-methyl-1-octylpyridin-2-one (CID 57116192) is 5-ethyl-6-hydroxy-4-methyl-1-octylpyridin-2-one.
What is the SMILES notation for 5-ethyl-6-hydroxy-4-methyl-1-octylpyridin-2-one?
The canonical SMILES for 5-ethyl-6-hydroxy-4-methyl-1-octylpyridin-2-one is CCCCCCCCn1c(O)c(CC)c(C)cc1=O.
What is the InChIKey of 5-ethyl-6-hydroxy-4-methyl-1-octylpyridin-2-one?
The InChIKey is FPKZEIVSBFBFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-6-7-8-9-10-11-17-15(18)12-13(3)14(5-2)16(17)19/h12,19H,4-11H2,1-3H3.
What are the key properties of 5-ethyl-6-hydroxy-4-methyl-1-octylpyridin-2-one?
5-ethyl-6-hydroxy-4-methyl-1-octylpyridin-2-one has a molecular weight of 265.40 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-4-methyl-1-octylpyridin-2-one is sourced from PubChem (CID 57116192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).