2-azabicyclo[3.2.0]hepta-2,6-diene

C6H7N — CID 15130600

IUPAC2-azabicyclo[3.2.0]hepta-2,6-diene
SMILESC1=CC2N=CCC12
InChIInChI=1S/C6H7N/c1-2-6-5(1)3-4-7-6/h1-2,4-6H,3H2
InChIKeyIEBSGZFEJUFQGM-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.02
Rot. Bonds

About 2-azabicyclo[3.2.0]hepta-2,6-diene

2-azabicyclo[3.2.0]hepta-2,6-diene (PubChem CID 15130600) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is 2-azabicyclo[3.2.0]hepta-2,6-diene.

Molecular Properties

Compound Name2-azabicyclo[3.2.0]hepta-2,6-diene
PubChem CID15130600
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Name2-azabicyclo[3.2.0]hepta-2,6-diene
SMILESC1=CC2N=CCC12
InChIInChI=1S/C6H7N/c1-2-6-5(1)3-4-7-6/h1-2,4-6H,3H2
InChIKeyIEBSGZFEJUFQGM-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

Computed Properties (RDKit)

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

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Related Compounds

2-Azabicyclo[3.2.1]octa-2,6-diene
CID 12471325
2-Azabicyclo[2.2.1]hepta-2,5-diene
CID 15178579
2-methyl-3-prop-1-enyl-3,4-dihydro-2H-pyrrole
CID 91059657
2-pentan-3-yl-2H-pyrrole
CID 118654896
2-butan-2-yl-2H-pyrrole
CID 142235669
(1S,4R)-2-azabicyclo[2.2.1]hepta-2,5-diene
CID 11126181
5-Methyl-2-azabicyclo[2.2.0]hexa-2,5-diene
CID 102594099

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[3.2.0]hepta-2,6-diene?
The IUPAC name of 2-azabicyclo[3.2.0]hepta-2,6-diene (CID 15130600) is 2-azabicyclo[3.2.0]hepta-2,6-diene.
What is the SMILES notation for 2-azabicyclo[3.2.0]hepta-2,6-diene?
The canonical SMILES for 2-azabicyclo[3.2.0]hepta-2,6-diene is C1=CC2N=CCC12.
What is the InChIKey of 2-azabicyclo[3.2.0]hepta-2,6-diene?
The InChIKey is IEBSGZFEJUFQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c1-2-6-5(1)3-4-7-6/h1-2,4-6H,3H2.
What are the key properties of 2-azabicyclo[3.2.0]hepta-2,6-diene?
2-azabicyclo[3.2.0]hepta-2,6-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[3.2.0]hepta-2,6-diene is sourced from PubChem (CID 15130600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).