5-(2,2-dibromoethenyl)-1-azabicyclo[3.2.1]octane

C9H13Br2N — CID 15663627

IUPAC5-(2,2-dibromoethenyl)-1-azabicyclo[3.2.1]octane
SMILESBrC(Br)=CC12CCCN(CC1)C2
InChIInChI=1S/C9H13Br2N/c10-8(11)6-9-2-1-4-12(7-9)5-3-9/h6H,1-5,7H2
InChIKeyBVCNAIUFIAANLF-UHFFFAOYSA-N
MW295.02 g/mol
LogP3.10
Rot. Bonds1

About 5-(2,2-dibromoethenyl)-1-azabicyclo[3.2.1]octane

5-(2,2-dibromoethenyl)-1-azabicyclo[3.2.1]octane (PubChem CID 15663627) has the molecular formula C9H13Br2N and a molecular weight of 295.02 g/mol. Its IUPAC name is 5-(2,2-dibromoethenyl)-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name5-(2,2-dibromoethenyl)-1-azabicyclo[3.2.1]octane
PubChem CID15663627
Molecular FormulaC9H13Br2N
Molecular Weight295.02 g/mol
Exact Mass292.94
IUPAC Name5-(2,2-dibromoethenyl)-1-azabicyclo[3.2.1]octane
SMILESBrC(Br)=CC12CCCN(CC1)C2
InChIInChI=1S/C9H13Br2N/c10-8(11)6-9-2-1-4-12(7-9)5-3-9/h6H,1-5,7H2
InChIKeyBVCNAIUFIAANLF-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.02
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dibromoethenyl)-1-azabicyclo[3.2.1]octane?
The IUPAC name of 5-(2,2-dibromoethenyl)-1-azabicyclo[3.2.1]octane (CID 15663627) is 5-(2,2-dibromoethenyl)-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for 5-(2,2-dibromoethenyl)-1-azabicyclo[3.2.1]octane?
The canonical SMILES for 5-(2,2-dibromoethenyl)-1-azabicyclo[3.2.1]octane is BrC(Br)=CC12CCCN(CC1)C2.
What is the InChIKey of 5-(2,2-dibromoethenyl)-1-azabicyclo[3.2.1]octane?
The InChIKey is BVCNAIUFIAANLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Br2N/c10-8(11)6-9-2-1-4-12(7-9)5-3-9/h6H,1-5,7H2.
What are the key properties of 5-(2,2-dibromoethenyl)-1-azabicyclo[3.2.1]octane?
5-(2,2-dibromoethenyl)-1-azabicyclo[3.2.1]octane has a molecular weight of 295.02 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dibromoethenyl)-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 15663627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).