2-azabicyclo[2.2.0]hexa-2,5-diene

C5H5N — CID 71375521

IUPAC2-azabicyclo[2.2.0]hexa-2,5-diene
SMILESC1=CC2N=CC12
InChIInChI=1S/C5H5N/c1-2-5-4(1)3-6-5/h1-5H
InChIKeyUKZSOLAUQNXPLD-UHFFFAOYSA-N
MW79.10 g/mol
LogP0.63
Rot. Bonds

About 2-azabicyclo[2.2.0]hexa-2,5-diene

2-azabicyclo[2.2.0]hexa-2,5-diene (PubChem CID 71375521) has the molecular formula C5H5N and a molecular weight of 79.10 g/mol. Its IUPAC name is 2-azabicyclo[2.2.0]hexa-2,5-diene.

Molecular Properties

Compound Name2-azabicyclo[2.2.0]hexa-2,5-diene
PubChem CID71375521
Molecular FormulaC5H5N
Molecular Weight79.10 g/mol
Exact Mass79.04
IUPAC Name2-azabicyclo[2.2.0]hexa-2,5-diene
SMILESC1=CC2N=CC12
InChIInChI=1S/C5H5N/c1-2-5-4(1)3-6-5/h1-5H
InChIKeyUKZSOLAUQNXPLD-UHFFFAOYSA-N
XLogP0.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.10
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.0]hexa-2,5-diene?
The IUPAC name of 2-azabicyclo[2.2.0]hexa-2,5-diene (CID 71375521) is 2-azabicyclo[2.2.0]hexa-2,5-diene.
What is the SMILES notation for 2-azabicyclo[2.2.0]hexa-2,5-diene?
The canonical SMILES for 2-azabicyclo[2.2.0]hexa-2,5-diene is C1=CC2N=CC12.
What is the InChIKey of 2-azabicyclo[2.2.0]hexa-2,5-diene?
The InChIKey is UKZSOLAUQNXPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N/c1-2-5-4(1)3-6-5/h1-5H.
What are the key properties of 2-azabicyclo[2.2.0]hexa-2,5-diene?
2-azabicyclo[2.2.0]hexa-2,5-diene has a molecular weight of 79.10 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.0]hexa-2,5-diene is sourced from PubChem (CID 71375521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).