(2S)-2-(bromomethyl)-1-methylpyrrolidine

C6H12BrN — CID 18729312

IUPAC(2S)-2-(bromomethyl)-1-methylpyrrolidine
SMILESCN1CCC[C@H]1CBr
InChIInChI=1S/C6H12BrN/c1-8-4-2-3-6(8)5-7/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyRALAMZZQDJIIJX-LURJTMIESA-N
MW178.07 g/mol
LogP1.48
Rot. Bonds1

About (2S)-2-(bromomethyl)-1-methylpyrrolidine

(2S)-2-(bromomethyl)-1-methylpyrrolidine (PubChem CID 18729312) has the molecular formula C6H12BrN and a molecular weight of 178.07 g/mol. Its IUPAC name is (2S)-2-(bromomethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(bromomethyl)-1-methylpyrrolidine
PubChem CID18729312
Molecular FormulaC6H12BrN
Molecular Weight178.07 g/mol
Exact Mass177.02
IUPAC Name(2S)-2-(bromomethyl)-1-methylpyrrolidine
SMILESCN1CCC[C@H]1CBr
InChIInChI=1S/C6H12BrN/c1-8-4-2-3-6(8)5-7/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyRALAMZZQDJIIJX-LURJTMIESA-N
XLogP1.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.07
LogP ≤ 51.48
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
(2R)-2-(bromomethyl)-1-methylpyrrolidinehydrobromide
CID 165477637
2-Bromomethyl-1-methyl-pyrrolidine
CID 22616983
2-(2-Bromoethyl)-1-methylpyrrolidine
CID 59730744
1-Ethyl-1-methylpyrrolidine bromide
CID 141485274
1-(3-Bromopropyl)-2,5-dimethylpyrrolidinium bromide
CID 44151969
2-(Bromomethyl)-1-(trifluoromethyl)pyrrolidine
CID 71648847
2-(Bromomethyl)-1-(2,2-difluoroethyl)pyrrolidine
CID 80668531
2-(Bromomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 80677165
2-(Bromomethyl)-1-(2-fluoroethyl)pyrrolidine
CID 80694981
2-(Bromomethyl)-1-(3-fluoropropyl)pyrrolidine
CID 81113686

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(bromomethyl)-1-methylpyrrolidine?
The IUPAC name of (2S)-2-(bromomethyl)-1-methylpyrrolidine (CID 18729312) is (2S)-2-(bromomethyl)-1-methylpyrrolidine.
What is the SMILES notation for (2S)-2-(bromomethyl)-1-methylpyrrolidine?
The canonical SMILES for (2S)-2-(bromomethyl)-1-methylpyrrolidine is CN1CCC[C@H]1CBr.
What is the InChIKey of (2S)-2-(bromomethyl)-1-methylpyrrolidine?
The InChIKey is RALAMZZQDJIIJX-LURJTMIESA-N. The full InChI is InChI=1S/C6H12BrN/c1-8-4-2-3-6(8)5-7/h6H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-(bromomethyl)-1-methylpyrrolidine?
(2S)-2-(bromomethyl)-1-methylpyrrolidine has a molecular weight of 178.07 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(bromomethyl)-1-methylpyrrolidine is sourced from PubChem (CID 18729312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).