6-cyclohexyl-4-methyl-1-oxidopyridin-2-one;2-hydroxyethylazanium

C14H24N2O3 — CID 45480172

IUPAC6-cyclohexyl-4-methyl-1-oxidopyridin-2-one;2-hydroxyethylazanium
SMILESCc1cc(C2CCCCC2)n([O-])c(=O)c1.[NH3+]CCO
InChIInChI=1S/C12H16NO2.C2H7NO/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;3-1-2-4/h7-8,10H,2-6H2,1H3;4H,1-3H2/q-1;/p+1
InChIKeyHKUKJIQHPXYJTP-UHFFFAOYSA-O
MW268.36 g/mol
LogP0.77
Rot. Bonds2

About 6-cyclohexyl-4-methyl-1-oxidopyridin-2-one;2-hydroxyethylazanium

6-cyclohexyl-4-methyl-1-oxidopyridin-2-one;2-hydroxyethylazanium (PubChem CID 45480172) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-cyclohexyl-4-methyl-1-oxidopyridin-2-one;2-hydroxyethylazanium.

Molecular Properties

Compound Name6-cyclohexyl-4-methyl-1-oxidopyridin-2-one;2-hydroxyethylazanium
PubChem CID45480172
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name6-cyclohexyl-4-methyl-1-oxidopyridin-2-one;2-hydroxyethylazanium
SMILESCc1cc(C2CCCCC2)n([O-])c(=O)c1.[NH3+]CCO
InChIInChI=1S/C12H16NO2.C2H7NO/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;3-1-2-4/h7-8,10H,2-6H2,1H3;4H,1-3H2/q-1;/p+1
InChIKeyHKUKJIQHPXYJTP-UHFFFAOYSA-O
XLogP0.77
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-4-methyl-1-oxidopyridin-2-one;2-hydroxyethylazanium?
The IUPAC name of 6-cyclohexyl-4-methyl-1-oxidopyridin-2-one;2-hydroxyethylazanium (CID 45480172) is 6-cyclohexyl-4-methyl-1-oxidopyridin-2-one;2-hydroxyethylazanium.
What is the SMILES notation for 6-cyclohexyl-4-methyl-1-oxidopyridin-2-one;2-hydroxyethylazanium?
The canonical SMILES for 6-cyclohexyl-4-methyl-1-oxidopyridin-2-one;2-hydroxyethylazanium is Cc1cc(C2CCCCC2)n([O-])c(=O)c1.[NH3+]CCO.
What is the InChIKey of 6-cyclohexyl-4-methyl-1-oxidopyridin-2-one;2-hydroxyethylazanium?
The InChIKey is HKUKJIQHPXYJTP-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H16NO2.C2H7NO/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;3-1-2-4/h7-8,10H,2-6H2,1H3;4H,1-3H2/q-1;/p+1.
What are the key properties of 6-cyclohexyl-4-methyl-1-oxidopyridin-2-one;2-hydroxyethylazanium?
6-cyclohexyl-4-methyl-1-oxidopyridin-2-one;2-hydroxyethylazanium has a molecular weight of 268.36 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-4-methyl-1-oxidopyridin-2-one;2-hydroxyethylazanium is sourced from PubChem (CID 45480172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).