methyl 1-(3-cyanopyrazin-2-yl)pyrrolidine-2-carboxylate

C11H12N4O2 — CID 55133875

IUPACmethyl 1-(3-cyanopyrazin-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1nccnc1C#N
InChIInChI=1S/C11H12N4O2/c1-17-11(16)9-3-2-6-15(9)10-8(7-12)13-4-5-14-10/h4-5,9H,2-3,6H2,1H3
InChIKeyGTDYCQKUXRLVEF-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.49
Rot. Bonds2

About methyl 1-(3-cyanopyrazin-2-yl)pyrrolidine-2-carboxylate

methyl 1-(3-cyanopyrazin-2-yl)pyrrolidine-2-carboxylate (PubChem CID 55133875) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl 1-(3-cyanopyrazin-2-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-cyanopyrazin-2-yl)pyrrolidine-2-carboxylate
PubChem CID55133875
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Namemethyl 1-(3-cyanopyrazin-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1nccnc1C#N
InChIInChI=1S/C11H12N4O2/c1-17-11(16)9-3-2-6-15(9)10-8(7-12)13-4-5-14-10/h4-5,9H,2-3,6H2,1H3
InChIKeyGTDYCQKUXRLVEF-UHFFFAOYSA-N
XLogP0.49
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
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 1-(3-cyanopyrazin-2-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(3-cyanopyrazin-2-yl)pyrrolidine-2-carboxylate (CID 55133875) is methyl 1-(3-cyanopyrazin-2-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-cyanopyrazin-2-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-cyanopyrazin-2-yl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1c1nccnc1C#N.
What is the InChIKey of methyl 1-(3-cyanopyrazin-2-yl)pyrrolidine-2-carboxylate?
The InChIKey is GTDYCQKUXRLVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-17-11(16)9-3-2-6-15(9)10-8(7-12)13-4-5-14-10/h4-5,9H,2-3,6H2,1H3.
What are the key properties of methyl 1-(3-cyanopyrazin-2-yl)pyrrolidine-2-carboxylate?
methyl 1-(3-cyanopyrazin-2-yl)pyrrolidine-2-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-cyanopyrazin-2-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 55133875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).