2-azabicyclo[4.2.0]octa-2,5,7-triene

C7H7N — CID 54160438

IUPAC2-azabicyclo[4.2.0]octa-2,5,7-triene
SMILESC1=CC2N=CCC=C12
InChIInChI=1S/C7H7N/c1-2-6-3-4-7(6)8-5-1/h2-5,7H,1H2
InChIKeyZPGIEYLONAREDA-UHFFFAOYSA-N
MW105.14 g/mol
LogP1.33
Rot. Bonds

About 2-azabicyclo[4.2.0]octa-2,5,7-triene

2-azabicyclo[4.2.0]octa-2,5,7-triene (PubChem CID 54160438) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is 2-azabicyclo[4.2.0]octa-2,5,7-triene.

Molecular Properties

Compound Name2-azabicyclo[4.2.0]octa-2,5,7-triene
PubChem CID54160438
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Name2-azabicyclo[4.2.0]octa-2,5,7-triene
SMILESC1=CC2N=CCC=C12
InChIInChI=1S/C7H7N/c1-2-6-3-4-7(6)8-5-1/h2-5,7H,1H2
InChIKeyZPGIEYLONAREDA-UHFFFAOYSA-N
XLogP1.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[4.2.0]octa-2,5,7-triene?
The IUPAC name of 2-azabicyclo[4.2.0]octa-2,5,7-triene (CID 54160438) is 2-azabicyclo[4.2.0]octa-2,5,7-triene.
What is the SMILES notation for 2-azabicyclo[4.2.0]octa-2,5,7-triene?
The canonical SMILES for 2-azabicyclo[4.2.0]octa-2,5,7-triene is C1=CC2N=CCC=C12.
What is the InChIKey of 2-azabicyclo[4.2.0]octa-2,5,7-triene?
The InChIKey is ZPGIEYLONAREDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N/c1-2-6-3-4-7(6)8-5-1/h2-5,7H,1H2.
What are the key properties of 2-azabicyclo[4.2.0]octa-2,5,7-triene?
2-azabicyclo[4.2.0]octa-2,5,7-triene has a molecular weight of 105.14 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[4.2.0]octa-2,5,7-triene is sourced from PubChem (CID 54160438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).