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

C14H21NO3 — CID 149072680

IUPAC6-cyclohexyl-1-(methoxymethoxy)-4-methylpyridin-2-one
SMILESCOCOn1c(C2CCCCC2)cc(C)cc1=O
InChIInChI=1S/C14H21NO3/c1-11-8-13(12-6-4-3-5-7-12)15(14(16)9-11)18-10-17-2/h8-9,12H,3-7,10H2,1-2H3
InChIKeyQOHNDVVDTKFFJO-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.24
Rot. Bonds4

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

6-cyclohexyl-1-(methoxymethoxy)-4-methylpyridin-2-one (PubChem CID 149072680) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-cyclohexyl-1-(methoxymethoxy)-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-1-(methoxymethoxy)-4-methylpyridin-2-one
PubChem CID149072680
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name6-cyclohexyl-1-(methoxymethoxy)-4-methylpyridin-2-one
SMILESCOCOn1c(C2CCCCC2)cc(C)cc1=O
InChIInChI=1S/C14H21NO3/c1-11-8-13(12-6-4-3-5-7-12)15(14(16)9-11)18-10-17-2/h8-9,12H,3-7,10H2,1-2H3
InChIKeyQOHNDVVDTKFFJO-UHFFFAOYSA-N
XLogP2.24
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-(methoxymethoxy)-4-methylpyridin-2-one?
The IUPAC name of 6-cyclohexyl-1-(methoxymethoxy)-4-methylpyridin-2-one (CID 149072680) is 6-cyclohexyl-1-(methoxymethoxy)-4-methylpyridin-2-one.
What is the SMILES notation for 6-cyclohexyl-1-(methoxymethoxy)-4-methylpyridin-2-one?
The canonical SMILES for 6-cyclohexyl-1-(methoxymethoxy)-4-methylpyridin-2-one is COCOn1c(C2CCCCC2)cc(C)cc1=O.
What is the InChIKey of 6-cyclohexyl-1-(methoxymethoxy)-4-methylpyridin-2-one?
The InChIKey is QOHNDVVDTKFFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11-8-13(12-6-4-3-5-7-12)15(14(16)9-11)18-10-17-2/h8-9,12H,3-7,10H2,1-2H3.
What are the key properties of 6-cyclohexyl-1-(methoxymethoxy)-4-methylpyridin-2-one?
6-cyclohexyl-1-(methoxymethoxy)-4-methylpyridin-2-one has a molecular weight of 251.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-(methoxymethoxy)-4-methylpyridin-2-one is sourced from PubChem (CID 149072680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).