4-methoxy-3-[(E)-2-methoxyethenyl]-1-methylpyridin-2-one

C10H13NO3 — CID 59727844

IUPAC4-methoxy-3-[(E)-2-methoxyethenyl]-1-methylpyridin-2-one
SMILESCO/C=C/c1c(OC)ccn(C)c1=O
InChIInChI=1S/C10H13NO3/c1-11-6-4-9(14-3)8(10(11)12)5-7-13-2/h4-7H,1-3H3/b7-5+
InChIKeyNXDFTAAIJFRAEY-FNORWQNLSA-N
MW195.22 g/mol
LogP1.01
Rot. Bonds3

About 4-methoxy-3-[(E)-2-methoxyethenyl]-1-methylpyridin-2-one

4-methoxy-3-[(E)-2-methoxyethenyl]-1-methylpyridin-2-one (PubChem CID 59727844) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-methoxy-3-[(E)-2-methoxyethenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-methoxy-3-[(E)-2-methoxyethenyl]-1-methylpyridin-2-one
PubChem CID59727844
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name4-methoxy-3-[(E)-2-methoxyethenyl]-1-methylpyridin-2-one
SMILESCO/C=C/c1c(OC)ccn(C)c1=O
InChIInChI=1S/C10H13NO3/c1-11-6-4-9(14-3)8(10(11)12)5-7-13-2/h4-7H,1-3H3/b7-5+
InChIKeyNXDFTAAIJFRAEY-FNORWQNLSA-N
XLogP1.01
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(E)-2-methoxyethenyl]-1-methylpyridin-2-one?
The IUPAC name of 4-methoxy-3-[(E)-2-methoxyethenyl]-1-methylpyridin-2-one (CID 59727844) is 4-methoxy-3-[(E)-2-methoxyethenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-methoxy-3-[(E)-2-methoxyethenyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-methoxy-3-[(E)-2-methoxyethenyl]-1-methylpyridin-2-one is CO/C=C/c1c(OC)ccn(C)c1=O.
What is the InChIKey of 4-methoxy-3-[(E)-2-methoxyethenyl]-1-methylpyridin-2-one?
The InChIKey is NXDFTAAIJFRAEY-FNORWQNLSA-N. The full InChI is InChI=1S/C10H13NO3/c1-11-6-4-9(14-3)8(10(11)12)5-7-13-2/h4-7H,1-3H3/b7-5+.
What are the key properties of 4-methoxy-3-[(E)-2-methoxyethenyl]-1-methylpyridin-2-one?
4-methoxy-3-[(E)-2-methoxyethenyl]-1-methylpyridin-2-one has a molecular weight of 195.22 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(E)-2-methoxyethenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 59727844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).