1-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one

C15H16N2O2 — CID 6869581

IUPAC1-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one
SMILESCOc1ccc(/C=N/n2c(C)cc(C)cc2=O)cc1
InChIInChI=1S/C15H16N2O2/c1-11-8-12(2)17(15(18)9-11)16-10-13-4-6-14(19-3)7-5-13/h4-10H,1-3H3/b16-10+
InChIKeyBCOJDBYFYBZOBP-MHWRWJLKSA-N
MW256.30 g/mol
LogP2.36
Rot. Bonds3

About 1-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one

1-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one (PubChem CID 6869581) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one
PubChem CID6869581
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name1-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one
SMILESCOc1ccc(/C=N/n2c(C)cc(C)cc2=O)cc1
InChIInChI=1S/C15H16N2O2/c1-11-8-12(2)17(15(18)9-11)16-10-13-4-6-14(19-3)7-5-13/h4-10H,1-3H3/b16-10+
InChIKeyBCOJDBYFYBZOBP-MHWRWJLKSA-N
XLogP2.36
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one?
The IUPAC name of 1-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one (CID 6869581) is 1-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 1-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one?
The canonical SMILES for 1-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one is COc1ccc(/C=N/n2c(C)cc(C)cc2=O)cc1.
What is the InChIKey of 1-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one?
The InChIKey is BCOJDBYFYBZOBP-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-8-12(2)17(15(18)9-11)16-10-13-4-6-14(19-3)7-5-13/h4-10H,1-3H3/b16-10+.
What are the key properties of 1-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one?
1-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one has a molecular weight of 256.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 6869581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).