methyl 3-(6-methoxypyrazin-2-yl)-3-oxopropanoate

C9H10N2O4 — CID 21398889

IUPACmethyl 3-(6-methoxypyrazin-2-yl)-3-oxopropanoate
SMILESCOC(=O)CC(=O)c1cncc(OC)n1
InChIInChI=1S/C9H10N2O4/c1-14-8-5-10-4-6(11-8)7(12)3-9(13)15-2/h4-5H,3H2,1-2H3
InChIKeyASGVKOWHPMZDIZ-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.23
Rot. Bonds4

About methyl 3-(6-methoxypyrazin-2-yl)-3-oxopropanoate

methyl 3-(6-methoxypyrazin-2-yl)-3-oxopropanoate (PubChem CID 21398889) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is methyl 3-(6-methoxypyrazin-2-yl)-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-(6-methoxypyrazin-2-yl)-3-oxopropanoate
PubChem CID21398889
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Namemethyl 3-(6-methoxypyrazin-2-yl)-3-oxopropanoate
SMILESCOC(=O)CC(=O)c1cncc(OC)n1
InChIInChI=1S/C9H10N2O4/c1-14-8-5-10-4-6(11-8)7(12)3-9(13)15-2/h4-5H,3H2,1-2H3
InChIKeyASGVKOWHPMZDIZ-UHFFFAOYSA-N
XLogP0.23
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-methoxypyrazin-2-yl)-3-oxopropanoate?
The IUPAC name of methyl 3-(6-methoxypyrazin-2-yl)-3-oxopropanoate (CID 21398889) is methyl 3-(6-methoxypyrazin-2-yl)-3-oxopropanoate.
What is the SMILES notation for methyl 3-(6-methoxypyrazin-2-yl)-3-oxopropanoate?
The canonical SMILES for methyl 3-(6-methoxypyrazin-2-yl)-3-oxopropanoate is COC(=O)CC(=O)c1cncc(OC)n1.
What is the InChIKey of methyl 3-(6-methoxypyrazin-2-yl)-3-oxopropanoate?
The InChIKey is ASGVKOWHPMZDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-14-8-5-10-4-6(11-8)7(12)3-9(13)15-2/h4-5H,3H2,1-2H3.
What are the key properties of methyl 3-(6-methoxypyrazin-2-yl)-3-oxopropanoate?
methyl 3-(6-methoxypyrazin-2-yl)-3-oxopropanoate has a molecular weight of 210.19 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-methoxypyrazin-2-yl)-3-oxopropanoate is sourced from PubChem (CID 21398889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).