2-azabicyclo[2.2.1]hept-1-ene

C6H9N — CID 67092065

IUPAC2-azabicyclo[2.2.1]hept-1-ene
SMILESC1CC2CN=C1C2
InChIInChI=1S/C6H9N/c1-2-6-3-5(1)4-7-6/h5H,1-4H2
InChIKeyAJWFNQNFPHYNIK-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.24
Rot. Bonds

About 2-azabicyclo[2.2.1]hept-1-ene

2-azabicyclo[2.2.1]hept-1-ene (PubChem CID 67092065) 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-ene.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]hept-1-ene
PubChem CID67092065
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name2-azabicyclo[2.2.1]hept-1-ene
SMILESC1CC2CN=C1C2
InChIInChI=1S/C6H9N/c1-2-6-3-5(1)4-7-6/h5H,1-4H2
InChIKeyAJWFNQNFPHYNIK-UHFFFAOYSA-N
XLogP1.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]hept-1-ene?
The IUPAC name of 2-azabicyclo[2.2.1]hept-1-ene (CID 67092065) is 2-azabicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for 2-azabicyclo[2.2.1]hept-1-ene?
The canonical SMILES for 2-azabicyclo[2.2.1]hept-1-ene is C1CC2CN=C1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]hept-1-ene?
The InChIKey is AJWFNQNFPHYNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-2-6-3-5(1)4-7-6/h5H,1-4H2.
What are the key properties of 2-azabicyclo[2.2.1]hept-1-ene?
2-azabicyclo[2.2.1]hept-1-ene has a molecular weight of 95.14 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 67092065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).