2-(3-bromofuran-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

C12H14BrNO — CID 57194248

IUPAC2-(3-bromofuran-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2CC=C(c3occc3Br)C1CC2
InChIInChI=1S/C12H14BrNO/c1-14-8-2-4-9(11(14)5-3-8)12-10(13)6-7-15-12/h4,6-8,11H,2-3,5H2,1H3
InChIKeyKISHJEYSTAWEJK-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.29
Rot. Bonds1

About 2-(3-bromofuran-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

2-(3-bromofuran-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 57194248) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID57194248
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name2-(3-bromofuran-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2CC=C(c3occc3Br)C1CC2
InChIInChI=1S/C12H14BrNO/c1-14-8-2-4-9(11(14)5-3-8)12-10(13)6-7-15-12/h4,6-8,11H,2-3,5H2,1H3
InChIKeyKISHJEYSTAWEJK-UHFFFAOYSA-N
XLogP3.29
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 2-(3-bromofuran-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene (CID 57194248) is 2-(3-bromofuran-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 2-(3-bromofuran-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene is CN1C2CC=C(c3occc3Br)C1CC2.
What is the InChIKey of 2-(3-bromofuran-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is KISHJEYSTAWEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-14-8-2-4-9(11(14)5-3-8)12-10(13)6-7-15-12/h4,6-8,11H,2-3,5H2,1H3.
What are the key properties of 2-(3-bromofuran-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
2-(3-bromofuran-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 268.15 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 57194248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).