6-cyclohexyl-1-(2-hydroxyethoxy)-4-methylpyridin-2-one

C14H21NO3 — CID 167059141

IUPAC6-cyclohexyl-1-(2-hydroxyethoxy)-4-methylpyridin-2-one
SMILESCc1cc(C2CCCCC2)n(OCCO)c(=O)c1
InChIInChI=1S/C14H21NO3/c1-11-9-13(12-5-3-2-4-6-12)15(14(17)10-11)18-8-7-16/h9-10,12,16H,2-8H2,1H3
InChIKeySCVLNTUTZQGLDI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.63
Rot. Bonds4

About 6-cyclohexyl-1-(2-hydroxyethoxy)-4-methylpyridin-2-one

6-cyclohexyl-1-(2-hydroxyethoxy)-4-methylpyridin-2-one (PubChem CID 167059141) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-cyclohexyl-1-(2-hydroxyethoxy)-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-1-(2-hydroxyethoxy)-4-methylpyridin-2-one
PubChem CID167059141
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name6-cyclohexyl-1-(2-hydroxyethoxy)-4-methylpyridin-2-one
SMILESCc1cc(C2CCCCC2)n(OCCO)c(=O)c1
InChIInChI=1S/C14H21NO3/c1-11-9-13(12-5-3-2-4-6-12)15(14(17)10-11)18-8-7-16/h9-10,12,16H,2-8H2,1H3
InChIKeySCVLNTUTZQGLDI-UHFFFAOYSA-N
XLogP1.63
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-(2-hydroxyethoxy)-4-methylpyridin-2-one?
The IUPAC name of 6-cyclohexyl-1-(2-hydroxyethoxy)-4-methylpyridin-2-one (CID 167059141) is 6-cyclohexyl-1-(2-hydroxyethoxy)-4-methylpyridin-2-one.
What is the SMILES notation for 6-cyclohexyl-1-(2-hydroxyethoxy)-4-methylpyridin-2-one?
The canonical SMILES for 6-cyclohexyl-1-(2-hydroxyethoxy)-4-methylpyridin-2-one is Cc1cc(C2CCCCC2)n(OCCO)c(=O)c1.
What is the InChIKey of 6-cyclohexyl-1-(2-hydroxyethoxy)-4-methylpyridin-2-one?
The InChIKey is SCVLNTUTZQGLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11-9-13(12-5-3-2-4-6-12)15(14(17)10-11)18-8-7-16/h9-10,12,16H,2-8H2,1H3.
What are the key properties of 6-cyclohexyl-1-(2-hydroxyethoxy)-4-methylpyridin-2-one?
6-cyclohexyl-1-(2-hydroxyethoxy)-4-methylpyridin-2-one has a molecular weight of 251.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-(2-hydroxyethoxy)-4-methylpyridin-2-one is sourced from PubChem (CID 167059141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).