3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane;hydrobromide

C8H15Br2NO — CID 155819682

IUPAC3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane;hydrobromide
SMILESBr.BrCCN1CC2CCC(C1)O2
InChIInChI=1S/C8H14BrNO.BrH/c9-3-4-10-5-7-1-2-8(6-10)11-7;/h7-8H,1-6H2;1H
InChIKeyGLPKZVWYPBZVRZ-UHFFFAOYSA-N
MW301.02 g/mol
LogP1.82
Rot. Bonds2

About 3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane;hydrobromide

3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane;hydrobromide (PubChem CID 155819682) has the molecular formula C8H15Br2NO and a molecular weight of 301.02 g/mol. Its IUPAC name is 3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane;hydrobromide.

Molecular Properties

Compound Name3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane;hydrobromide
PubChem CID155819682
Molecular FormulaC8H15Br2NO
Molecular Weight301.02 g/mol
Exact Mass298.95
IUPAC Name3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane;hydrobromide
SMILESBr.BrCCN1CC2CCC(C1)O2
InChIInChI=1S/C8H14BrNO.BrH/c9-3-4-10-5-7-1-2-8(6-10)11-7;/h7-8H,1-6H2;1H
InChIKeyGLPKZVWYPBZVRZ-UHFFFAOYSA-N
XLogP1.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.02
LogP ≤ 51.82
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-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane;hydrobromide?
The IUPAC name of 3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane;hydrobromide (CID 155819682) is 3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane;hydrobromide.
What is the SMILES notation for 3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane;hydrobromide?
The canonical SMILES for 3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane;hydrobromide is Br.BrCCN1CC2CCC(C1)O2.
What is the InChIKey of 3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane;hydrobromide?
The InChIKey is GLPKZVWYPBZVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO.BrH/c9-3-4-10-5-7-1-2-8(6-10)11-7;/h7-8H,1-6H2;1H.
What are the key properties of 3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane;hydrobromide?
3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane;hydrobromide has a molecular weight of 301.02 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane;hydrobromide is sourced from PubChem (CID 155819682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).