1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one

C15H16N2O3 — CID 909670

IUPAC1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one
SMILESCOc1cc(C=Nn2c(C)cc(C)cc2=O)ccc1O
InChIInChI=1S/C15H16N2O3/c1-10-6-11(2)17(15(19)7-10)16-9-12-4-5-13(18)14(8-12)20-3/h4-9,18H,1-3H3
InChIKeyISCNRRNLRYLXPL-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.06
Rot. Bonds3

About 1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one

1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one (PubChem CID 909670) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one
PubChem CID909670
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one
SMILESCOc1cc(C=Nn2c(C)cc(C)cc2=O)ccc1O
InChIInChI=1S/C15H16N2O3/c1-10-6-11(2)17(15(19)7-10)16-9-12-4-5-13(18)14(8-12)20-3/h4-9,18H,1-3H3
InChIKeyISCNRRNLRYLXPL-UHFFFAOYSA-N
XLogP2.06
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one?
The IUPAC name of 1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one (CID 909670) is 1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one?
The canonical SMILES for 1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one is COc1cc(C=Nn2c(C)cc(C)cc2=O)ccc1O.
What is the InChIKey of 1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one?
The InChIKey is ISCNRRNLRYLXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-6-11(2)17(15(19)7-10)16-9-12-4-5-13(18)14(8-12)20-3/h4-9,18H,1-3H3.
What are the key properties of 1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one?
1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one has a molecular weight of 272.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 909670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).