8-azabicyclo[3.2.1]octa-1(8),2-diene

C7H9N — CID 91291803

IUPAC8-azabicyclo[3.2.1]octa-1(8),2-diene
SMILESC1=CC2=NC(C1)CC2
InChIInChI=1S/C7H9N/c1-2-6-4-5-7(3-1)8-6/h1-2,7H,3-5H2
InChIKeyNPZBNWSZHOOIJB-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.55
Rot. Bonds

About 8-azabicyclo[3.2.1]octa-1(8),2-diene

8-azabicyclo[3.2.1]octa-1(8),2-diene (PubChem CID 91291803) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octa-1(8),2-diene.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octa-1(8),2-diene
PubChem CID91291803
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name8-azabicyclo[3.2.1]octa-1(8),2-diene
SMILESC1=CC2=NC(C1)CC2
InChIInChI=1S/C7H9N/c1-2-6-4-5-7(3-1)8-6/h1-2,7H,3-5H2
InChIKeyNPZBNWSZHOOIJB-UHFFFAOYSA-N
XLogP1.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octa-1(8),2-diene?
The IUPAC name of 8-azabicyclo[3.2.1]octa-1(8),2-diene (CID 91291803) is 8-azabicyclo[3.2.1]octa-1(8),2-diene.
What is the SMILES notation for 8-azabicyclo[3.2.1]octa-1(8),2-diene?
The canonical SMILES for 8-azabicyclo[3.2.1]octa-1(8),2-diene is C1=CC2=NC(C1)CC2.
What is the InChIKey of 8-azabicyclo[3.2.1]octa-1(8),2-diene?
The InChIKey is NPZBNWSZHOOIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-2-6-4-5-7(3-1)8-6/h1-2,7H,3-5H2.
What are the key properties of 8-azabicyclo[3.2.1]octa-1(8),2-diene?
8-azabicyclo[3.2.1]octa-1(8),2-diene has a molecular weight of 107.16 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octa-1(8),2-diene is sourced from PubChem (CID 91291803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).