tert-butyl 2-pyrazin-2-ylpropanoate

C11H16N2O2 — CID 66339447

IUPACtert-butyl 2-pyrazin-2-ylpropanoate
SMILESCC(C(=O)OC(C)(C)C)c1cnccn1
InChIInChI=1S/C11H16N2O2/c1-8(9-7-12-5-6-13-9)10(14)15-11(2,3)4/h5-8H,1-4H3
InChIKeyKSYCMLWDBIPVEH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.92
Rot. Bonds2

About tert-butyl 2-pyrazin-2-ylpropanoate

tert-butyl 2-pyrazin-2-ylpropanoate (PubChem CID 66339447) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is tert-butyl 2-pyrazin-2-ylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-pyrazin-2-ylpropanoate
PubChem CID66339447
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nametert-butyl 2-pyrazin-2-ylpropanoate
SMILESCC(C(=O)OC(C)(C)C)c1cnccn1
InChIInChI=1S/C11H16N2O2/c1-8(9-7-12-5-6-13-9)10(14)15-11(2,3)4/h5-8H,1-4H3
InChIKeyKSYCMLWDBIPVEH-UHFFFAOYSA-N
XLogP1.92
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-pyrazin-2-ylpropanoate?
The IUPAC name of tert-butyl 2-pyrazin-2-ylpropanoate (CID 66339447) is tert-butyl 2-pyrazin-2-ylpropanoate.
What is the SMILES notation for tert-butyl 2-pyrazin-2-ylpropanoate?
The canonical SMILES for tert-butyl 2-pyrazin-2-ylpropanoate is CC(C(=O)OC(C)(C)C)c1cnccn1.
What is the InChIKey of tert-butyl 2-pyrazin-2-ylpropanoate?
The InChIKey is KSYCMLWDBIPVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(9-7-12-5-6-13-9)10(14)15-11(2,3)4/h5-8H,1-4H3.
What are the key properties of tert-butyl 2-pyrazin-2-ylpropanoate?
tert-butyl 2-pyrazin-2-ylpropanoate has a molecular weight of 208.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-pyrazin-2-ylpropanoate is sourced from PubChem (CID 66339447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).