5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrazine-2,3-dione

C13H14N2O3 — CID 166951509

IUPAC5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrazine-2,3-dione
SMILESCOc1ccc(CCc2c[nH]c(=O)c(=O)[nH]2)cc1
InChIInChI=1S/C13H14N2O3/c1-18-11-6-3-9(4-7-11)2-5-10-8-14-12(16)13(17)15-10/h3-4,6-8H,2,5H2,1H3,(H,14,16)(H,15,17)
InChIKeyFVMWFEUJLVHMBJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.86
Rot. Bonds4

About 5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrazine-2,3-dione

5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrazine-2,3-dione (PubChem CID 166951509) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrazine-2,3-dione.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrazine-2,3-dione
PubChem CID166951509
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrazine-2,3-dione
SMILESCOc1ccc(CCc2c[nH]c(=O)c(=O)[nH]2)cc1
InChIInChI=1S/C13H14N2O3/c1-18-11-6-3-9(4-7-11)2-5-10-8-14-12(16)13(17)15-10/h3-4,6-8H,2,5H2,1H3,(H,14,16)(H,15,17)
InChIKeyFVMWFEUJLVHMBJ-UHFFFAOYSA-N
XLogP0.86
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrazine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrazine-2,3-dione?
The IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrazine-2,3-dione (CID 166951509) is 5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrazine-2,3-dione.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrazine-2,3-dione?
The canonical SMILES for 5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrazine-2,3-dione is COc1ccc(CCc2c[nH]c(=O)c(=O)[nH]2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrazine-2,3-dione?
The InChIKey is FVMWFEUJLVHMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-18-11-6-3-9(4-7-11)2-5-10-8-14-12(16)13(17)15-10/h3-4,6-8H,2,5H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrazine-2,3-dione?
5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrazine-2,3-dione has a molecular weight of 246.27 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrazine-2,3-dione is sourced from PubChem (CID 166951509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).