2-azabicyclo[2.2.1]hept-1(6)-ene

C6H9N — CID 22320566

IUPAC2-azabicyclo[2.2.1]hept-1(6)-ene
SMILESC1=C2CC(C1)CN2
InChIInChI=1S/C6H9N/c1-2-6-3-5(1)4-7-6/h2,5,7H,1,3-4H2
InChIKeyJEVHQDDSRBIJHI-UHFFFAOYSA-N
MW95.14 g/mol
LogP0.88
Rot. Bonds

About 2-azabicyclo[2.2.1]hept-1(6)-ene

2-azabicyclo[2.2.1]hept-1(6)-ene (PubChem CID 22320566) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]hept-1(6)-ene.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]hept-1(6)-ene
PubChem CID22320566
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name2-azabicyclo[2.2.1]hept-1(6)-ene
SMILESC1=C2CC(C1)CN2
InChIInChI=1S/C6H9N/c1-2-6-3-5(1)4-7-6/h2,5,7H,1,3-4H2
InChIKeyJEVHQDDSRBIJHI-UHFFFAOYSA-N
XLogP0.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]hept-1(6)-ene?
The IUPAC name of 2-azabicyclo[2.2.1]hept-1(6)-ene (CID 22320566) is 2-azabicyclo[2.2.1]hept-1(6)-ene.
What is the SMILES notation for 2-azabicyclo[2.2.1]hept-1(6)-ene?
The canonical SMILES for 2-azabicyclo[2.2.1]hept-1(6)-ene is C1=C2CC(C1)CN2.
What is the InChIKey of 2-azabicyclo[2.2.1]hept-1(6)-ene?
The InChIKey is JEVHQDDSRBIJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-2-6-3-5(1)4-7-6/h2,5,7H,1,3-4H2.
What are the key properties of 2-azabicyclo[2.2.1]hept-1(6)-ene?
2-azabicyclo[2.2.1]hept-1(6)-ene has a molecular weight of 95.14 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]hept-1(6)-ene is sourced from PubChem (CID 22320566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).