3-(bromomethyl)-1-(2-methoxyethyl)pyrrolidine;hydrobromide

C8H17Br2NO — CID 167718579

IUPAC3-(bromomethyl)-1-(2-methoxyethyl)pyrrolidine;hydrobromide
SMILESBr.COCCN1CCC(CBr)C1
InChIInChI=1S/C8H16BrNO.BrH/c1-11-5-4-10-3-2-8(6-9)7-10;/h8H,2-7H2,1H3;1H
InChIKeyGFBXFJRPOWEUEF-UHFFFAOYSA-N
MW303.04 g/mol
LogP1.93
Rot. Bonds4

About 3-(bromomethyl)-1-(2-methoxyethyl)pyrrolidine;hydrobromide

3-(bromomethyl)-1-(2-methoxyethyl)pyrrolidine;hydrobromide (PubChem CID 167718579) has the molecular formula C8H17Br2NO and a molecular weight of 303.04 g/mol. Its IUPAC name is 3-(bromomethyl)-1-(2-methoxyethyl)pyrrolidine;hydrobromide.

Molecular Properties

Compound Name3-(bromomethyl)-1-(2-methoxyethyl)pyrrolidine;hydrobromide
PubChem CID167718579
Molecular FormulaC8H17Br2NO
Molecular Weight303.04 g/mol
Exact Mass300.97
IUPAC Name3-(bromomethyl)-1-(2-methoxyethyl)pyrrolidine;hydrobromide
SMILESBr.COCCN1CCC(CBr)C1
InChIInChI=1S/C8H16BrNO.BrH/c1-11-5-4-10-3-2-8(6-9)7-10;/h8H,2-7H2,1H3;1H
InChIKeyGFBXFJRPOWEUEF-UHFFFAOYSA-N
XLogP1.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.04
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-methoxyethyl)pyrrolidine;hydrobromide?
The IUPAC name of 3-(bromomethyl)-1-(2-methoxyethyl)pyrrolidine;hydrobromide (CID 167718579) is 3-(bromomethyl)-1-(2-methoxyethyl)pyrrolidine;hydrobromide.
What is the SMILES notation for 3-(bromomethyl)-1-(2-methoxyethyl)pyrrolidine;hydrobromide?
The canonical SMILES for 3-(bromomethyl)-1-(2-methoxyethyl)pyrrolidine;hydrobromide is Br.COCCN1CCC(CBr)C1.
What is the InChIKey of 3-(bromomethyl)-1-(2-methoxyethyl)pyrrolidine;hydrobromide?
The InChIKey is GFBXFJRPOWEUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO.BrH/c1-11-5-4-10-3-2-8(6-9)7-10;/h8H,2-7H2,1H3;1H.
What are the key properties of 3-(bromomethyl)-1-(2-methoxyethyl)pyrrolidine;hydrobromide?
3-(bromomethyl)-1-(2-methoxyethyl)pyrrolidine;hydrobromide has a molecular weight of 303.04 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-(2-methoxyethyl)pyrrolidine;hydrobromide is sourced from PubChem (CID 167718579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).