1-azidobicyclo[2.2.1]hept-2-ene

C7H9N3 — CID 142518827

IUPAC1-azidobicyclo[2.2.1]hept-2-ene
SMILES[N-]=[N+]=NC12C=CC(CC1)C2
InChIInChI=1S/C7H9N3/c8-10-9-7-3-1-6(5-7)2-4-7/h1,3,6H,2,4-5H2
InChIKeyJTKMOWQDLSWVID-UHFFFAOYSA-N
MW135.17 g/mol
LogP2.41
Rot. Bonds1

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

1-azidobicyclo[2.2.1]hept-2-ene (PubChem CID 142518827) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 1-azidobicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1-azidobicyclo[2.2.1]hept-2-ene
PubChem CID142518827
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name1-azidobicyclo[2.2.1]hept-2-ene
SMILES[N-]=[N+]=NC12C=CC(CC1)C2
InChIInChI=1S/C7H9N3/c8-10-9-7-3-1-6(5-7)2-4-7/h1,3,6H,2,4-5H2
InChIKeyJTKMOWQDLSWVID-UHFFFAOYSA-N
XLogP2.41
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-azidobicyclo[2.2.1]hept-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-azidobicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1-azidobicyclo[2.2.1]hept-2-ene (CID 142518827) is 1-azidobicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1-azidobicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1-azidobicyclo[2.2.1]hept-2-ene is [N-]=[N+]=NC12C=CC(CC1)C2.
What is the InChIKey of 1-azidobicyclo[2.2.1]hept-2-ene?
The InChIKey is JTKMOWQDLSWVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c8-10-9-7-3-1-6(5-7)2-4-7/h1,3,6H,2,4-5H2.
What are the key properties of 1-azidobicyclo[2.2.1]hept-2-ene?
1-azidobicyclo[2.2.1]hept-2-ene has a molecular weight of 135.17 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidobicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 142518827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).