methyl 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylate

C11H15N3O3 — CID 67321226

IUPACmethyl 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(OC)C2)cn1
InChIInChI=1S/C11H15N3O3/c1-16-8-3-4-14(7-8)10-6-12-9(5-13-10)11(15)17-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyYJKASEWYXYLBIH-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.49
Rot. Bonds3

About methyl 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylate

methyl 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylate (PubChem CID 67321226) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylate
PubChem CID67321226
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(OC)C2)cn1
InChIInChI=1S/C11H15N3O3/c1-16-8-3-4-14(7-8)10-6-12-9(5-13-10)11(15)17-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyYJKASEWYXYLBIH-UHFFFAOYSA-N
XLogP0.49
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylate (CID 67321226) is methyl 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylate is COC(=O)c1cnc(N2CCC(OC)C2)cn1.
What is the InChIKey of methyl 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylate?
The InChIKey is YJKASEWYXYLBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-16-8-3-4-14(7-8)10-6-12-9(5-13-10)11(15)17-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of methyl 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylate?
methyl 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 67321226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).