3-(4-bromofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene

C11H12BrNO — CID 10824792

IUPAC3-(4-bromofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
SMILESBrc1coc(C2=CN3CCC2CC3)c1
InChIInChI=1S/C11H12BrNO/c12-9-5-11(14-7-9)10-6-13-3-1-8(10)2-4-13/h5-8H,1-4H2
InChIKeyHRIDJFHKBNVJDP-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.11
Rot. Bonds1

About 3-(4-bromofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene

3-(4-bromofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene (PubChem CID 10824792) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 3-(4-bromofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name3-(4-bromofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
PubChem CID10824792
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name3-(4-bromofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
SMILESBrc1coc(C2=CN3CCC2CC3)c1
InChIInChI=1S/C11H12BrNO/c12-9-5-11(14-7-9)10-6-13-3-1-8(10)2-4-13/h5-8H,1-4H2
InChIKeyHRIDJFHKBNVJDP-UHFFFAOYSA-N
XLogP3.11
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene?
The IUPAC name of 3-(4-bromofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene (CID 10824792) is 3-(4-bromofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for 3-(4-bromofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene?
The canonical SMILES for 3-(4-bromofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene is Brc1coc(C2=CN3CCC2CC3)c1.
What is the InChIKey of 3-(4-bromofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene?
The InChIKey is HRIDJFHKBNVJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-9-5-11(14-7-9)10-6-13-3-1-8(10)2-4-13/h5-8H,1-4H2.
What are the key properties of 3-(4-bromofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene?
3-(4-bromofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene has a molecular weight of 254.13 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 10824792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).