2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-5-amine

C15H16N2O — CID 10562031

IUPAC2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-5-amine
SMILESNc1ccc2oc(C3=CN4CCC3CC4)cc2c1
InChIInChI=1S/C15H16N2O/c16-12-1-2-14-11(7-12)8-15(18-14)13-9-17-5-3-10(13)4-6-17/h1-2,7-10H,3-6,16H2
InChIKeyNJWRXZDGANXMDC-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.08
Rot. Bonds1

About 2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-5-amine

2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-5-amine (PubChem CID 10562031) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-5-amine.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-5-amine
PubChem CID10562031
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-5-amine
SMILESNc1ccc2oc(C3=CN4CCC3CC4)cc2c1
InChIInChI=1S/C15H16N2O/c16-12-1-2-14-11(7-12)8-15(18-14)13-9-17-5-3-10(13)4-6-17/h1-2,7-10H,3-6,16H2
InChIKeyNJWRXZDGANXMDC-UHFFFAOYSA-N
XLogP3.08
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-5-amine?
The IUPAC name of 2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-5-amine (CID 10562031) is 2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-5-amine.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-5-amine?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-5-amine is Nc1ccc2oc(C3=CN4CCC3CC4)cc2c1.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-5-amine?
The InChIKey is NJWRXZDGANXMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-12-1-2-14-11(7-12)8-15(18-14)13-9-17-5-3-10(13)4-6-17/h1-2,7-10H,3-6,16H2.
What are the key properties of 2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-5-amine?
2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-5-amine has a molecular weight of 240.31 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-5-amine is sourced from PubChem (CID 10562031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).