methyl 2-pyrazin-2-ylpropanoate

C8H10N2O2 — CID 63968586

IUPACmethyl 2-pyrazin-2-ylpropanoate
SMILESCOC(=O)C(C)c1cnccn1
InChIInChI=1S/C8H10N2O2/c1-6(8(11)12-2)7-5-9-3-4-10-7/h3-6H,1-2H3
InChIKeyCDDUYOBBAAAKMU-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.75
Rot. Bonds2

About methyl 2-pyrazin-2-ylpropanoate

methyl 2-pyrazin-2-ylpropanoate (PubChem CID 63968586) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is methyl 2-pyrazin-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-pyrazin-2-ylpropanoate
PubChem CID63968586
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Namemethyl 2-pyrazin-2-ylpropanoate
SMILESCOC(=O)C(C)c1cnccn1
InChIInChI=1S/C8H10N2O2/c1-6(8(11)12-2)7-5-9-3-4-10-7/h3-6H,1-2H3
InChIKeyCDDUYOBBAAAKMU-UHFFFAOYSA-N
XLogP0.75
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-pyrazin-2-ylpropanoate?
The IUPAC name of methyl 2-pyrazin-2-ylpropanoate (CID 63968586) is methyl 2-pyrazin-2-ylpropanoate.
What is the SMILES notation for methyl 2-pyrazin-2-ylpropanoate?
The canonical SMILES for methyl 2-pyrazin-2-ylpropanoate is COC(=O)C(C)c1cnccn1.
What is the InChIKey of methyl 2-pyrazin-2-ylpropanoate?
The InChIKey is CDDUYOBBAAAKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6(8(11)12-2)7-5-9-3-4-10-7/h3-6H,1-2H3.
What are the key properties of methyl 2-pyrazin-2-ylpropanoate?
methyl 2-pyrazin-2-ylpropanoate has a molecular weight of 166.18 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyrazin-2-ylpropanoate is sourced from PubChem (CID 63968586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).