methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate

C11H15N3O3 — CID 79033439

IUPACmethyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2nccn(C)c2=O)C1
InChIInChI=1S/C11H15N3O3/c1-13-6-4-12-9(10(13)15)14-5-3-8(7-14)11(16)17-2/h4,6,8H,3,5,7H2,1-2H3
InChIKeyDHFFALLNNKHLPA-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.22
Rot. Bonds2

About methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate

methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate (PubChem CID 79033439) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate
PubChem CID79033439
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2nccn(C)c2=O)C1
InChIInChI=1S/C11H15N3O3/c1-13-6-4-12-9(10(13)15)14-5-3-8(7-14)11(16)17-2/h4,6,8H,3,5,7H2,1-2H3
InChIKeyDHFFALLNNKHLPA-UHFFFAOYSA-N
XLogP-0.22
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate (CID 79033439) is methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(c2nccn(C)c2=O)C1.
What is the InChIKey of methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate?
The InChIKey is DHFFALLNNKHLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-13-6-4-12-9(10(13)15)14-5-3-8(7-14)11(16)17-2/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate?
methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate has a molecular weight of 237.26 g/mol, XLogP of -0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 79033439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).