2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-6-methoxypyrazine

C11H16ClN3O — CID 102786075

IUPAC2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-6-methoxypyrazine
SMILESCOc1cncc(N2CCC(C)C2CCl)n1
InChIInChI=1S/C11H16ClN3O/c1-8-3-4-15(9(8)5-12)10-6-13-7-11(14-10)16-2/h6-9H,3-5H2,1-2H3
InChIKeyJXOFGWURQLSYKB-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.94
Rot. Bonds3

About 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-6-methoxypyrazine

2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-6-methoxypyrazine (PubChem CID 102786075) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-6-methoxypyrazine.

Molecular Properties

Compound Name2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-6-methoxypyrazine
PubChem CID102786075
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-6-methoxypyrazine
SMILESCOc1cncc(N2CCC(C)C2CCl)n1
InChIInChI=1S/C11H16ClN3O/c1-8-3-4-15(9(8)5-12)10-6-13-7-11(14-10)16-2/h6-9H,3-5H2,1-2H3
InChIKeyJXOFGWURQLSYKB-UHFFFAOYSA-N
XLogP1.94
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-6-methoxypyrazine?
The IUPAC name of 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-6-methoxypyrazine (CID 102786075) is 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-6-methoxypyrazine.
What is the SMILES notation for 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-6-methoxypyrazine?
The canonical SMILES for 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-6-methoxypyrazine is COc1cncc(N2CCC(C)C2CCl)n1.
What is the InChIKey of 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-6-methoxypyrazine?
The InChIKey is JXOFGWURQLSYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-3-4-15(9(8)5-12)10-6-13-7-11(14-10)16-2/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-6-methoxypyrazine?
2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-6-methoxypyrazine has a molecular weight of 241.72 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-6-methoxypyrazine is sourced from PubChem (CID 102786075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).