6-(4-aminooxy-2-methoxyphenyl)-1-methylpyridin-2-one

C13H14N2O3 — CID 130459288

IUPAC6-(4-aminooxy-2-methoxyphenyl)-1-methylpyridin-2-one
SMILESCOc1cc(ON)ccc1-c1cccc(=O)n1C
InChIInChI=1S/C13H14N2O3/c1-15-11(4-3-5-13(15)16)10-7-6-9(18-14)8-12(10)17-2/h3-8H,14H2,1-2H3
InChIKeyLUQMAJYEFOJMLI-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.31
Rot. Bonds3

About 6-(4-aminooxy-2-methoxyphenyl)-1-methylpyridin-2-one

6-(4-aminooxy-2-methoxyphenyl)-1-methylpyridin-2-one (PubChem CID 130459288) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-(4-aminooxy-2-methoxyphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-(4-aminooxy-2-methoxyphenyl)-1-methylpyridin-2-one
PubChem CID130459288
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name6-(4-aminooxy-2-methoxyphenyl)-1-methylpyridin-2-one
SMILESCOc1cc(ON)ccc1-c1cccc(=O)n1C
InChIInChI=1S/C13H14N2O3/c1-15-11(4-3-5-13(15)16)10-7-6-9(18-14)8-12(10)17-2/h3-8H,14H2,1-2H3
InChIKeyLUQMAJYEFOJMLI-UHFFFAOYSA-N
XLogP1.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one
CID 118448854
6-(2-chloro-4-prop-2-enoxyphenyl)-1-methylpyridin-2-one
CID 159691735
8-methoxy-1-methylquinolin-2-one
CID 742791
4-(2,4-dimethoxyphenyl)-3-methyl-1H-imidazole-2-thione
CID 118671646
4-methoxy-5-(4-methoxyphenyl)-1-methylpyridin-2-one
CID 15144251
3-amino-6-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)pyridin-2-one
CID 82467142
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one
CID 53217944
1-(2-aminoethyl)-6-(2,4-dimethoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 71571305
6-(2-bromo-4-methoxyphenyl)-1-ethylpyridin-2-one
CID 160728651
6-(4-methoxy-2-methylphenyl)-1,3-dimethylpyridin-2-one
CID 159172833
O-(2,5-dimethoxyphenyl)hydroxylamine
CID 117273124

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminooxy-2-methoxyphenyl)-1-methylpyridin-2-one?
The IUPAC name of 6-(4-aminooxy-2-methoxyphenyl)-1-methylpyridin-2-one (CID 130459288) is 6-(4-aminooxy-2-methoxyphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 6-(4-aminooxy-2-methoxyphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 6-(4-aminooxy-2-methoxyphenyl)-1-methylpyridin-2-one is COc1cc(ON)ccc1-c1cccc(=O)n1C.
What is the InChIKey of 6-(4-aminooxy-2-methoxyphenyl)-1-methylpyridin-2-one?
The InChIKey is LUQMAJYEFOJMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-15-11(4-3-5-13(15)16)10-7-6-9(18-14)8-12(10)17-2/h3-8H,14H2,1-2H3.
What are the key properties of 6-(4-aminooxy-2-methoxyphenyl)-1-methylpyridin-2-one?
6-(4-aminooxy-2-methoxyphenyl)-1-methylpyridin-2-one has a molecular weight of 246.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminooxy-2-methoxyphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 130459288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).