3-(bromomethyl)-1-methylpyrrolidine;hydrobromide

C6H13Br2N — CID 71299895

IUPAC3-(bromomethyl)-1-methylpyrrolidine;hydrobromide
SMILESBr.CN1CCC(CBr)C1
InChIInChI=1S/C6H12BrN.BrH/c1-8-3-2-6(4-7)5-8;/h6H,2-5H2,1H3;1H
InChIKeySEHFPDOVQYNJDB-UHFFFAOYSA-N
MW258.98 g/mol
LogP1.91
Rot. Bonds1

About 3-(bromomethyl)-1-methylpyrrolidine;hydrobromide

3-(bromomethyl)-1-methylpyrrolidine;hydrobromide (PubChem CID 71299895) has the molecular formula C6H13Br2N and a molecular weight of 258.98 g/mol. Its IUPAC name is 3-(bromomethyl)-1-methylpyrrolidine;hydrobromide.

Molecular Properties

Compound Name3-(bromomethyl)-1-methylpyrrolidine;hydrobromide
PubChem CID71299895
Molecular FormulaC6H13Br2N
Molecular Weight258.98 g/mol
Exact Mass256.94
IUPAC Name3-(bromomethyl)-1-methylpyrrolidine;hydrobromide
SMILESBr.CN1CCC(CBr)C1
InChIInChI=1S/C6H12BrN.BrH/c1-8-3-2-6(4-7)5-8;/h6H,2-5H2,1H3;1H
InChIKeySEHFPDOVQYNJDB-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
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 3-(bromomethyl)-1-methylpyrrolidine;hydrobromide?
The IUPAC name of 3-(bromomethyl)-1-methylpyrrolidine;hydrobromide (CID 71299895) is 3-(bromomethyl)-1-methylpyrrolidine;hydrobromide.
What is the SMILES notation for 3-(bromomethyl)-1-methylpyrrolidine;hydrobromide?
The canonical SMILES for 3-(bromomethyl)-1-methylpyrrolidine;hydrobromide is Br.CN1CCC(CBr)C1.
What is the InChIKey of 3-(bromomethyl)-1-methylpyrrolidine;hydrobromide?
The InChIKey is SEHFPDOVQYNJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrN.BrH/c1-8-3-2-6(4-7)5-8;/h6H,2-5H2,1H3;1H.
What are the key properties of 3-(bromomethyl)-1-methylpyrrolidine;hydrobromide?
3-(bromomethyl)-1-methylpyrrolidine;hydrobromide has a molecular weight of 258.98 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-methylpyrrolidine;hydrobromide is sourced from PubChem (CID 71299895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).