2-(2-bromoethyl)-1-methylpyrrolidine;hydrobromide

C7H15Br2N — CID 71756610

IUPAC2-(2-bromoethyl)-1-methylpyrrolidine;hydrobromide
SMILESBr.CN1CCCC1CCBr
InChIInChI=1S/C7H14BrN.BrH/c1-9-6-2-3-7(9)4-5-8;/h7H,2-6H2,1H3;1H
InChIKeyANVWKHJYNZBODE-UHFFFAOYSA-N
MW273.01 g/mol
LogP2.44
Rot. Bonds2

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

2-(2-bromoethyl)-1-methylpyrrolidine;hydrobromide (PubChem CID 71756610) has the molecular formula C7H15Br2N and a molecular weight of 273.01 g/mol. Its IUPAC name is 2-(2-bromoethyl)-1-methylpyrrolidine;hydrobromide.

Molecular Properties

Compound Name2-(2-bromoethyl)-1-methylpyrrolidine;hydrobromide
PubChem CID71756610
Molecular FormulaC7H15Br2N
Molecular Weight273.01 g/mol
Exact Mass270.96
IUPAC Name2-(2-bromoethyl)-1-methylpyrrolidine;hydrobromide
SMILESBr.CN1CCCC1CCBr
InChIInChI=1S/C7H14BrN.BrH/c1-9-6-2-3-7(9)4-5-8;/h7H,2-6H2,1H3;1H
InChIKeyANVWKHJYNZBODE-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.01
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Bromomethyl)-1-methylpyrrolidine hydrobromide
CID 56773752
(2R)-2-(bromomethyl)-1-methylpyrrolidinehydrobromide
CID 165477637
2-Bromomethyl-1-methyl-pyrrolidine
CID 22616983
2-(2-Bromoethyl)-1-methylpyrrolidine
CID 59730744
1-(3-Bromopropyl)-2,5-dimethylpyrrolidinium bromide
CID 44151969
2-(Bromomethyl)-1-(2-fluoroethyl)pyrrolidine
CID 80694981
(2R,3S)-3-bromo-2-methyl-1-propan-2-ylpyrrolidine
CID 130883159
1-(3-Bromopropyl)-2,5-dimethylpyrrolidine
CID 3023732
(S)-2-(Bromomethyl)-1-methylpyrrolidine
CID 18729312
1-(6-Bromohexyl)-1-methylpyrrolidin-1-ium
CID 58445076
(2R,5R)-2-(2-bromoethyl)-5-ethyl-1-methylpyrrolidine
CID 59074891
1-(2-Bromoethyl)-2-methylpyrrolidine
CID 61288936

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-1-methylpyrrolidine;hydrobromide?
The IUPAC name of 2-(2-bromoethyl)-1-methylpyrrolidine;hydrobromide (CID 71756610) is 2-(2-bromoethyl)-1-methylpyrrolidine;hydrobromide.
What is the SMILES notation for 2-(2-bromoethyl)-1-methylpyrrolidine;hydrobromide?
The canonical SMILES for 2-(2-bromoethyl)-1-methylpyrrolidine;hydrobromide is Br.CN1CCCC1CCBr.
What is the InChIKey of 2-(2-bromoethyl)-1-methylpyrrolidine;hydrobromide?
The InChIKey is ANVWKHJYNZBODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrN.BrH/c1-9-6-2-3-7(9)4-5-8;/h7H,2-6H2,1H3;1H.
What are the key properties of 2-(2-bromoethyl)-1-methylpyrrolidine;hydrobromide?
2-(2-bromoethyl)-1-methylpyrrolidine;hydrobromide has a molecular weight of 273.01 g/mol, XLogP of 2.44, 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;hydrobromide is sourced from PubChem (CID 71756610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).