2,2-diethoxy-1-(3-methoxypyrazin-2-yl)ethanone

C11H16N2O4 — CID 104515007

IUPAC2,2-diethoxy-1-(3-methoxypyrazin-2-yl)ethanone
SMILESCCOC(OCC)C(=O)c1nccnc1OC
InChIInChI=1S/C11H16N2O4/c1-4-16-11(17-5-2)9(14)8-10(15-3)13-7-6-12-8/h6-7,11H,4-5H2,1-3H3
InChIKeyINKREJWBCUMZLA-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.07
Rot. Bonds7

About 2,2-diethoxy-1-(3-methoxypyrazin-2-yl)ethanone

2,2-diethoxy-1-(3-methoxypyrazin-2-yl)ethanone (PubChem CID 104515007) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2,2-diethoxy-1-(3-methoxypyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2,2-diethoxy-1-(3-methoxypyrazin-2-yl)ethanone
PubChem CID104515007
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2,2-diethoxy-1-(3-methoxypyrazin-2-yl)ethanone
SMILESCCOC(OCC)C(=O)c1nccnc1OC
InChIInChI=1S/C11H16N2O4/c1-4-16-11(17-5-2)9(14)8-10(15-3)13-7-6-12-8/h6-7,11H,4-5H2,1-3H3
InChIKeyINKREJWBCUMZLA-UHFFFAOYSA-N
XLogP1.07
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-one
CID 115796975
3-methoxypyrazine-2-carboxylic acid
CID 22395692
3-methoxypyrazine-2-carboxamide
CID 12571039
1-(3-methoxypyrazin-2-yl)butane-1,3-dione
CID 55262325
1-(3-methoxypyrazin-2-yl)-4-methylpentan-1-one
CID 104514881
1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone
CID 116553732
1-(3-methoxypyrazin-2-yl)octan-1-one
CID 115797152
4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one
CID 106677606
3-amino-1-(3-methoxypyrazin-2-yl)-4,4-dimethylpentan-1-one
CID 116608424
1-(3-methoxypyrazin-2-yl)-2-methyl-2-methylsulfonylpropan-1-one
CID 115797004
2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanone
CID 116588838
(3-methoxypyrazin-2-yl)-(1-methylcyclopropyl)methanone
CID 104515026

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-1-(3-methoxypyrazin-2-yl)ethanone?
The IUPAC name of 2,2-diethoxy-1-(3-methoxypyrazin-2-yl)ethanone (CID 104515007) is 2,2-diethoxy-1-(3-methoxypyrazin-2-yl)ethanone.
What is the SMILES notation for 2,2-diethoxy-1-(3-methoxypyrazin-2-yl)ethanone?
The canonical SMILES for 2,2-diethoxy-1-(3-methoxypyrazin-2-yl)ethanone is CCOC(OCC)C(=O)c1nccnc1OC.
What is the InChIKey of 2,2-diethoxy-1-(3-methoxypyrazin-2-yl)ethanone?
The InChIKey is INKREJWBCUMZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-16-11(17-5-2)9(14)8-10(15-3)13-7-6-12-8/h6-7,11H,4-5H2,1-3H3.
What are the key properties of 2,2-diethoxy-1-(3-methoxypyrazin-2-yl)ethanone?
2,2-diethoxy-1-(3-methoxypyrazin-2-yl)ethanone has a molecular weight of 240.26 g/mol, XLogP of 1.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-1-(3-methoxypyrazin-2-yl)ethanone is sourced from PubChem (CID 104515007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).