4-hydroxy-3-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyran-2-one

C15H15NO4 — CID 135454229

IUPAC4-hydroxy-3-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyran-2-one
SMILESCOc1ccc(/N=C(\C)c2c(O)cc(C)oc2=O)cc1
InChIInChI=1S/C15H15NO4/c1-9-8-13(17)14(15(18)20-9)10(2)16-11-4-6-12(19-3)7-5-11/h4-8,17H,1-3H3/b16-10+
InChIKeyNOODLWVQVWLXJY-MHWRWJLKSA-N
MW273.29 g/mol
LogP2.80
Rot. Bonds3

About 4-hydroxy-3-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyran-2-one

4-hydroxy-3-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyran-2-one (PubChem CID 135454229) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-hydroxy-3-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyran-2-one
PubChem CID135454229
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name4-hydroxy-3-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyran-2-one
SMILESCOc1ccc(/N=C(\C)c2c(O)cc(C)oc2=O)cc1
InChIInChI=1S/C15H15NO4/c1-9-8-13(17)14(15(18)20-9)10(2)16-11-4-6-12(19-3)7-5-11/h4-8,17H,1-3H3/b16-10+
InChIKeyNOODLWVQVWLXJY-MHWRWJLKSA-N
XLogP2.80
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-hydroxy-3-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyran-2-one?
The IUPAC name of 4-hydroxy-3-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyran-2-one (CID 135454229) is 4-hydroxy-3-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyran-2-one.
What is the SMILES notation for 4-hydroxy-3-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyran-2-one?
The canonical SMILES for 4-hydroxy-3-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyran-2-one is COc1ccc(/N=C(\C)c2c(O)cc(C)oc2=O)cc1.
What is the InChIKey of 4-hydroxy-3-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyran-2-one?
The InChIKey is NOODLWVQVWLXJY-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9-8-13(17)14(15(18)20-9)10(2)16-11-4-6-12(19-3)7-5-11/h4-8,17H,1-3H3/b16-10+.
What are the key properties of 4-hydroxy-3-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyran-2-one?
4-hydroxy-3-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyran-2-one has a molecular weight of 273.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyran-2-one is sourced from PubChem (CID 135454229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).