2-azabicyclo[2.2.1]hepta-1,5-diene

C6H7N — CID 67863616

IUPAC2-azabicyclo[2.2.1]hepta-1,5-diene
SMILESC1=CC2CN=C1C2
InChIInChI=1S/C6H7N/c1-2-6-3-5(1)4-7-6/h1-2,5H,3-4H2
InChIKeyDSQDPUOSDLXLEW-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.02
Rot. Bonds

About 2-azabicyclo[2.2.1]hepta-1,5-diene

2-azabicyclo[2.2.1]hepta-1,5-diene (PubChem CID 67863616) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]hepta-1,5-diene.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]hepta-1,5-diene
PubChem CID67863616
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Name2-azabicyclo[2.2.1]hepta-1,5-diene
SMILESC1=CC2CN=C1C2
InChIInChI=1S/C6H7N/c1-2-6-3-5(1)4-7-6/h1-2,5H,3-4H2
InChIKeyDSQDPUOSDLXLEW-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
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]hepta-1,5-diene?
The IUPAC name of 2-azabicyclo[2.2.1]hepta-1,5-diene (CID 67863616) is 2-azabicyclo[2.2.1]hepta-1,5-diene.
What is the SMILES notation for 2-azabicyclo[2.2.1]hepta-1,5-diene?
The canonical SMILES for 2-azabicyclo[2.2.1]hepta-1,5-diene is C1=CC2CN=C1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]hepta-1,5-diene?
The InChIKey is DSQDPUOSDLXLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c1-2-6-3-5(1)4-7-6/h1-2,5H,3-4H2.
What are the key properties of 2-azabicyclo[2.2.1]hepta-1,5-diene?
2-azabicyclo[2.2.1]hepta-1,5-diene has a molecular weight of 93.13 g/mol, XLogP of 1.02, 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]hepta-1,5-diene is sourced from PubChem (CID 67863616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).