propyl 5-propoxypyrazine-2-carboxylate

C11H16N2O3 — CID 68763154

IUPACpropyl 5-propoxypyrazine-2-carboxylate
SMILESCCCOC(=O)c1cnc(OCCC)cn1
InChIInChI=1S/C11H16N2O3/c1-3-5-15-10-8-12-9(7-13-10)11(14)16-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyDROPHNVDCNKHIO-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.83
Rot. Bonds6

About propyl 5-propoxypyrazine-2-carboxylate

propyl 5-propoxypyrazine-2-carboxylate (PubChem CID 68763154) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is propyl 5-propoxypyrazine-2-carboxylate.

Molecular Properties

Compound Namepropyl 5-propoxypyrazine-2-carboxylate
PubChem CID68763154
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namepropyl 5-propoxypyrazine-2-carboxylate
SMILESCCCOC(=O)c1cnc(OCCC)cn1
InChIInChI=1S/C11H16N2O3/c1-3-5-15-10-8-12-9(7-13-10)11(14)16-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyDROPHNVDCNKHIO-UHFFFAOYSA-N
XLogP1.83
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 5-propoxypyrazine-2-carboxylate?
The IUPAC name of propyl 5-propoxypyrazine-2-carboxylate (CID 68763154) is propyl 5-propoxypyrazine-2-carboxylate.
What is the SMILES notation for propyl 5-propoxypyrazine-2-carboxylate?
The canonical SMILES for propyl 5-propoxypyrazine-2-carboxylate is CCCOC(=O)c1cnc(OCCC)cn1.
What is the InChIKey of propyl 5-propoxypyrazine-2-carboxylate?
The InChIKey is DROPHNVDCNKHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-5-15-10-8-12-9(7-13-10)11(14)16-6-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of propyl 5-propoxypyrazine-2-carboxylate?
propyl 5-propoxypyrazine-2-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-propoxypyrazine-2-carboxylate is sourced from PubChem (CID 68763154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).