(2R)-2-(bromomethyl)-1-methylpyrrolidine;hydrobromide

C6H13Br2N — CID 165477637

IUPAC(2R)-2-(bromomethyl)-1-methylpyrrolidine;hydrobromide
SMILESBr.CN1CCC[C@@H]1CBr
InChIInChI=1S/C6H12BrN.BrH/c1-8-4-2-3-6(8)5-7;/h6H,2-5H2,1H3;1H/t6-;/m1./s1
InChIKeyTWBVHJLHXAWSPV-FYZOBXCZSA-N
MW258.98 g/mol
LogP2.05
Rot. Bonds1

About (2R)-2-(bromomethyl)-1-methylpyrrolidine;hydrobromide

(2R)-2-(bromomethyl)-1-methylpyrrolidine;hydrobromide (PubChem CID 165477637) has the molecular formula C6H13Br2N and a molecular weight of 258.98 g/mol. Its IUPAC name is (2R)-2-(bromomethyl)-1-methylpyrrolidine;hydrobromide.

Molecular Properties

Compound Name(2R)-2-(bromomethyl)-1-methylpyrrolidine;hydrobromide
PubChem CID165477637
Molecular FormulaC6H13Br2N
Molecular Weight258.98 g/mol
Exact Mass256.94
IUPAC Name(2R)-2-(bromomethyl)-1-methylpyrrolidine;hydrobromide
SMILESBr.CN1CCC[C@@H]1CBr
InChIInChI=1S/C6H12BrN.BrH/c1-8-4-2-3-6(8)5-7;/h6H,2-5H2,1H3;1H/t6-;/m1./s1
InChIKeyTWBVHJLHXAWSPV-FYZOBXCZSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.98
LogP ≤ 52.05
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
2-(2-Bromoethyl)-1-methylpyrrolidine hydrobromide
CID 71756610
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
2-(Bromomethyl)-1-(3-fluoropropyl)pyrrolidine
CID 81113686
(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
CID 57864275
CID 57864275
1-(5-Bromopentyl)-1-methylpyrrolidin-1-ium
CID 58445073

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(bromomethyl)-1-methylpyrrolidine;hydrobromide?
The IUPAC name of (2R)-2-(bromomethyl)-1-methylpyrrolidine;hydrobromide (CID 165477637) is (2R)-2-(bromomethyl)-1-methylpyrrolidine;hydrobromide.
What is the SMILES notation for (2R)-2-(bromomethyl)-1-methylpyrrolidine;hydrobromide?
The canonical SMILES for (2R)-2-(bromomethyl)-1-methylpyrrolidine;hydrobromide is Br.CN1CCC[C@@H]1CBr.
What is the InChIKey of (2R)-2-(bromomethyl)-1-methylpyrrolidine;hydrobromide?
The InChIKey is TWBVHJLHXAWSPV-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H12BrN.BrH/c1-8-4-2-3-6(8)5-7;/h6H,2-5H2,1H3;1H/t6-;/m1./s1.
What are the key properties of (2R)-2-(bromomethyl)-1-methylpyrrolidine;hydrobromide?
(2R)-2-(bromomethyl)-1-methylpyrrolidine;hydrobromide has a molecular weight of 258.98 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(bromomethyl)-1-methylpyrrolidine;hydrobromide is sourced from PubChem (CID 165477637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).