2-(2-bromoethyl)-1-methylpyrrolidine

C7H14BrN — CID 59730744

IUPAC2-(2-bromoethyl)-1-methylpyrrolidine
SMILESCN1CCCC1CCBr
InChIInChI=1S/C7H14BrN/c1-9-6-2-3-7(9)4-5-8/h7H,2-6H2,1H3
InChIKeyHEIUQVCWUAMJAG-UHFFFAOYSA-N
MW192.10 g/mol
LogP1.87
Rot. Bonds2

About 2-(2-bromoethyl)-1-methylpyrrolidine

2-(2-bromoethyl)-1-methylpyrrolidine (PubChem CID 59730744) has the molecular formula C7H14BrN and a molecular weight of 192.10 g/mol. Its IUPAC name is 2-(2-bromoethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name2-(2-bromoethyl)-1-methylpyrrolidine
PubChem CID59730744
Molecular FormulaC7H14BrN
Molecular Weight192.10 g/mol
Exact Mass191.03
IUPAC Name2-(2-bromoethyl)-1-methylpyrrolidine
SMILESCN1CCCC1CCBr
InChIInChI=1S/C7H14BrN/c1-9-6-2-3-7(9)4-5-8/h7H,2-6H2,1H3
InChIKeyHEIUQVCWUAMJAG-UHFFFAOYSA-N
XLogP1.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-bromoethyl)-1-methylpyrrolidine?
The IUPAC name of 2-(2-bromoethyl)-1-methylpyrrolidine (CID 59730744) is 2-(2-bromoethyl)-1-methylpyrrolidine.
What is the SMILES notation for 2-(2-bromoethyl)-1-methylpyrrolidine?
The canonical SMILES for 2-(2-bromoethyl)-1-methylpyrrolidine is CN1CCCC1CCBr.
What is the InChIKey of 2-(2-bromoethyl)-1-methylpyrrolidine?
The InChIKey is HEIUQVCWUAMJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrN/c1-9-6-2-3-7(9)4-5-8/h7H,2-6H2,1H3.
What are the key properties of 2-(2-bromoethyl)-1-methylpyrrolidine?
2-(2-bromoethyl)-1-methylpyrrolidine has a molecular weight of 192.10 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-1-methylpyrrolidine is sourced from PubChem (CID 59730744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).