3-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene

C17H17NO — CID 10729440

IUPAC3-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
SMILESC1=C(c2ccc(-c3ccccc3)o2)C2CCN1CC2
InChIInChI=1S/C17H17NO/c1-2-4-14(5-3-1)16-6-7-17(19-16)15-12-18-10-8-13(15)9-11-18/h1-7,12-13H,8-11H2
InChIKeyILAZBCOZIJMNAN-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.01
Rot. Bonds2

About 3-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene

3-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene (PubChem CID 10729440) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name3-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
PubChem CID10729440
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name3-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
SMILESC1=C(c2ccc(-c3ccccc3)o2)C2CCN1CC2
InChIInChI=1S/C17H17NO/c1-2-4-14(5-3-1)16-6-7-17(19-16)15-12-18-10-8-13(15)9-11-18/h1-7,12-13H,8-11H2
InChIKeyILAZBCOZIJMNAN-UHFFFAOYSA-N
XLogP4.01
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene?
The IUPAC name of 3-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene (CID 10729440) is 3-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for 3-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene?
The canonical SMILES for 3-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene is C1=C(c2ccc(-c3ccccc3)o2)C2CCN1CC2.
What is the InChIKey of 3-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene?
The InChIKey is ILAZBCOZIJMNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-4-14(5-3-1)16-6-7-17(19-16)15-12-18-10-8-13(15)9-11-18/h1-7,12-13H,8-11H2.
What are the key properties of 3-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene?
3-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene has a molecular weight of 251.33 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 10729440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).