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

C8H14BrNO — CID 66369579

IUPAC3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESBrCCN1CC2CCC(C1)O2
InChIInChI=1S/C8H14BrNO/c9-3-4-10-5-7-1-2-8(6-10)11-7/h7-8H,1-6H2
InChIKeyNLWCIIPPWOSSCK-UHFFFAOYSA-N
MW220.11 g/mol
LogP1.24
Rot. Bonds2

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

3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 66369579) has the molecular formula C8H14BrNO and a molecular weight of 220.11 g/mol. Its IUPAC name is 3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID66369579
Molecular FormulaC8H14BrNO
Molecular Weight220.11 g/mol
Exact Mass219.03
IUPAC Name3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESBrCCN1CC2CCC(C1)O2
InChIInChI=1S/C8H14BrNO/c9-3-4-10-5-7-1-2-8(6-10)11-7/h7-8H,1-6H2
InChIKeyNLWCIIPPWOSSCK-UHFFFAOYSA-N
XLogP1.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 66369579) is 3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane is BrCCN1CC2CCC(C1)O2.
What is the InChIKey of 3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is NLWCIIPPWOSSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO/c9-3-4-10-5-7-1-2-8(6-10)11-7/h7-8H,1-6H2.
What are the key properties of 3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 220.11 g/mol, XLogP of 1.24, 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 is sourced from PubChem (CID 66369579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).