2-[2-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

C15H16N2O4 — CID 63270824

IUPAC2-[2-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCOc1cccc(C(=O)Cn2[nH]c(=O)c(C)c(C)c2=O)c1
InChIInChI=1S/C15H16N2O4/c1-9-10(2)15(20)17(16-14(9)19)8-13(18)11-5-4-6-12(7-11)21-3/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyVIQFODSOMWAWKB-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.04
Rot. Bonds4

About 2-[2-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

2-[2-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 63270824) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID63270824
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[2-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCOc1cccc(C(=O)Cn2[nH]c(=O)c(C)c(C)c2=O)c1
InChIInChI=1S/C15H16N2O4/c1-9-10(2)15(20)17(16-14(9)19)8-13(18)11-5-4-6-12(7-11)21-3/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyVIQFODSOMWAWKB-UHFFFAOYSA-N
XLogP1.04
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 63270824) is 2-[2-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is COc1cccc(C(=O)Cn2[nH]c(=O)c(C)c(C)c2=O)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is VIQFODSOMWAWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-10(2)15(20)17(16-14(9)19)8-13(18)11-5-4-6-12(7-11)21-3/h4-7H,8H2,1-3H3,(H,16,19).
What are the key properties of 2-[2-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-[2-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 288.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63270824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).