2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-carbonitrile

C12H12N2O — CID 10679529

IUPAC2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-carbonitrile
SMILESN#Cc1ccoc1C1=CN2CCC1CC2
InChIInChI=1S/C12H12N2O/c13-7-10-3-6-15-12(10)11-8-14-4-1-9(11)2-5-14/h3,6,8-9H,1-2,4-5H2
InChIKeyZUSQEIFGHOIMSY-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.22
Rot. Bonds1

About 2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-carbonitrile

2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-carbonitrile (PubChem CID 10679529) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-carbonitrile
PubChem CID10679529
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-carbonitrile
SMILESN#Cc1ccoc1C1=CN2CCC1CC2
InChIInChI=1S/C12H12N2O/c13-7-10-3-6-15-12(10)11-8-14-4-1-9(11)2-5-14/h3,6,8-9H,1-2,4-5H2
InChIKeyZUSQEIFGHOIMSY-UHFFFAOYSA-N
XLogP2.22
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-carbonitrile?
The IUPAC name of 2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-carbonitrile (CID 10679529) is 2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-carbonitrile.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-carbonitrile?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-carbonitrile is N#Cc1ccoc1C1=CN2CCC1CC2.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-carbonitrile?
The InChIKey is ZUSQEIFGHOIMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-7-10-3-6-15-12(10)11-8-14-4-1-9(11)2-5-14/h3,6,8-9H,1-2,4-5H2.
What are the key properties of 2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-carbonitrile?
2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-carbonitrile has a molecular weight of 200.24 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 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)furan-3-carbonitrile is sourced from PubChem (CID 10679529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).