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

C13H16BrNO — CID 57294461

IUPAC2-(3-bromofuran-2-yl)-8-ethyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCCN1C2CC=C(c3occc3Br)C1CC2
InChIInChI=1S/C13H16BrNO/c1-2-15-9-3-5-10(12(15)6-4-9)13-11(14)7-8-16-13/h5,7-9,12H,2-4,6H2,1H3
InChIKeyWBPOHSPIZAYQIK-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.68
Rot. Bonds2

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

2-(3-bromofuran-2-yl)-8-ethyl-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 57294461) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-8-ethyl-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-8-ethyl-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID57294461
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name2-(3-bromofuran-2-yl)-8-ethyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCCN1C2CC=C(c3occc3Br)C1CC2
InChIInChI=1S/C13H16BrNO/c1-2-15-9-3-5-10(12(15)6-4-9)13-11(14)7-8-16-13/h5,7-9,12H,2-4,6H2,1H3
InChIKeyWBPOHSPIZAYQIK-UHFFFAOYSA-N
XLogP3.68
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(furan-2-yl)-1,2,6-trimethyl-3,6-dihydro-2H-pyridine
CID 13029627
Ethyl-[6-(furan-2-yl)hexan-2-yl]-dimethylazanium
CID 44520
2-(Furan-2-yl)-7-azabicyclo[2.2.1]hept-2-ene
CID 57397491
2-[(3-Bromofuran-2-yl)-fluoromethyl]piperidine
CID 106634939
2-[(3-Bromofuran-2-yl)-fluoromethyl]pyrrolidine
CID 106640354
(2E)-2-(furan-2-ylmethylidene)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 21594628
3-(3-Iodofuran-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
CID 9796920
3-(3-Bromofuran-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
CID 9903474
3-(3-Bromofuran-2-yl)-8-ethyl-8-azabicyclo[3.2.1]oct-2-ene
CID 12114313
3-(Furan-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
CID 22278966
N-(2-bromoprop-1-enyl)-1-(furan-2-yl)-N-methylpropan-2-amine
CID 54522261
2-(3-Bromofuran-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
CID 57194248

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-8-ethyl-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 2-(3-bromofuran-2-yl)-8-ethyl-8-azabicyclo[3.2.1]oct-2-ene (CID 57294461) is 2-(3-bromofuran-2-yl)-8-ethyl-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-8-ethyl-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 2-(3-bromofuran-2-yl)-8-ethyl-8-azabicyclo[3.2.1]oct-2-ene is CCN1C2CC=C(c3occc3Br)C1CC2.
What is the InChIKey of 2-(3-bromofuran-2-yl)-8-ethyl-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is WBPOHSPIZAYQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-2-15-9-3-5-10(12(15)6-4-9)13-11(14)7-8-16-13/h5,7-9,12H,2-4,6H2,1H3.
What are the key properties of 2-(3-bromofuran-2-yl)-8-ethyl-8-azabicyclo[3.2.1]oct-2-ene?
2-(3-bromofuran-2-yl)-8-ethyl-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 282.18 g/mol, XLogP of 3.68, 2 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-ethyl-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 57294461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).