2-azabicyclo[2.2.2]oct-1-ene

C7H11N — CID 13172697

IUPAC2-azabicyclo[2.2.2]oct-1-ene
SMILESC1CC2CCC1=NC2
InChIInChI=1S/C7H11N/c1-3-7-4-2-6(1)5-8-7/h6H,1-5H2
InChIKeyOIUARUPERKJHFP-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.63
Rot. Bonds

About 2-azabicyclo[2.2.2]oct-1-ene

2-azabicyclo[2.2.2]oct-1-ene (PubChem CID 13172697) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-azabicyclo[2.2.2]oct-1-ene.

Molecular Properties

Compound Name2-azabicyclo[2.2.2]oct-1-ene
PubChem CID13172697
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-azabicyclo[2.2.2]oct-1-ene
SMILESC1CC2CCC1=NC2
InChIInChI=1S/C7H11N/c1-3-7-4-2-6(1)5-8-7/h6H,1-5H2
InChIKeyOIUARUPERKJHFP-UHFFFAOYSA-N
XLogP1.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.2]oct-1-ene?
The IUPAC name of 2-azabicyclo[2.2.2]oct-1-ene (CID 13172697) is 2-azabicyclo[2.2.2]oct-1-ene.
What is the SMILES notation for 2-azabicyclo[2.2.2]oct-1-ene?
The canonical SMILES for 2-azabicyclo[2.2.2]oct-1-ene is C1CC2CCC1=NC2.
What is the InChIKey of 2-azabicyclo[2.2.2]oct-1-ene?
The InChIKey is OIUARUPERKJHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-3-7-4-2-6(1)5-8-7/h6H,1-5H2.
What are the key properties of 2-azabicyclo[2.2.2]oct-1-ene?
2-azabicyclo[2.2.2]oct-1-ene has a molecular weight of 109.17 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.2]oct-1-ene is sourced from PubChem (CID 13172697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).