7-azabicyclo[2.2.1]hepta-1(7),2-diene

C6H7N — CID 91141762

IUPAC7-azabicyclo[2.2.1]hepta-1(7),2-diene
SMILESC1=CC2CCC1=N2
InChIInChI=1S/C6H7N/c1-2-6-4-3-5(1)7-6/h1-2,5H,3-4H2
InChIKeyXAZOQNBCUSNLMP-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.16
Rot. Bonds

About 7-azabicyclo[2.2.1]hepta-1(7),2-diene

7-azabicyclo[2.2.1]hepta-1(7),2-diene (PubChem CID 91141762) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]hepta-1(7),2-diene.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]hepta-1(7),2-diene
PubChem CID91141762
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Name7-azabicyclo[2.2.1]hepta-1(7),2-diene
SMILESC1=CC2CCC1=N2
InChIInChI=1S/C6H7N/c1-2-6-4-3-5(1)7-6/h1-2,5H,3-4H2
InChIKeyXAZOQNBCUSNLMP-UHFFFAOYSA-N
XLogP1.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-azabicyclo[2.2.1]hepta-1(7),2-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Azabicyclo[3.2.1]octa-1(8),2-diene
CID 91291803

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]hepta-1(7),2-diene?
The IUPAC name of 7-azabicyclo[2.2.1]hepta-1(7),2-diene (CID 91141762) is 7-azabicyclo[2.2.1]hepta-1(7),2-diene.
What is the SMILES notation for 7-azabicyclo[2.2.1]hepta-1(7),2-diene?
The canonical SMILES for 7-azabicyclo[2.2.1]hepta-1(7),2-diene is C1=CC2CCC1=N2.
What is the InChIKey of 7-azabicyclo[2.2.1]hepta-1(7),2-diene?
The InChIKey is XAZOQNBCUSNLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c1-2-6-4-3-5(1)7-6/h1-2,5H,3-4H2.
What are the key properties of 7-azabicyclo[2.2.1]hepta-1(7),2-diene?
7-azabicyclo[2.2.1]hepta-1(7),2-diene has a molecular weight of 93.13 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]hepta-1(7),2-diene is sourced from PubChem (CID 91141762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).