8-azidoocta-1,6-diene

C8H13N3 — CID 134851056

IUPAC8-azidoocta-1,6-diene
SMILESC=CCCCC=CCN=[N+]=[N-]
InChIInChI=1S/C8H13N3/c1-2-3-4-5-6-7-8-10-11-9/h2,6-7H,1,3-5,8H2
InChIKeyHRHYYAWIEXCHAN-UHFFFAOYSA-N
MW151.21 g/mol
LogP3.21
Rot. Bonds6

About 8-azidoocta-1,6-diene

8-azidoocta-1,6-diene (PubChem CID 134851056) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 8-azidoocta-1,6-diene.

Molecular Properties

Compound Name8-azidoocta-1,6-diene
PubChem CID134851056
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name8-azidoocta-1,6-diene
SMILESC=CCCCC=CCN=[N+]=[N-]
InChIInChI=1S/C8H13N3/c1-2-3-4-5-6-7-8-10-11-9/h2,6-7H,1,3-5,8H2
InChIKeyHRHYYAWIEXCHAN-UHFFFAOYSA-N
XLogP3.21
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-azidoocta-1,6-diene 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 8-azidoocta-1,6-diene?
The IUPAC name of 8-azidoocta-1,6-diene (CID 134851056) is 8-azidoocta-1,6-diene.
What is the SMILES notation for 8-azidoocta-1,6-diene?
The canonical SMILES for 8-azidoocta-1,6-diene is C=CCCCC=CCN=[N+]=[N-].
What is the InChIKey of 8-azidoocta-1,6-diene?
The InChIKey is HRHYYAWIEXCHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-3-4-5-6-7-8-10-11-9/h2,6-7H,1,3-5,8H2.
What are the key properties of 8-azidoocta-1,6-diene?
8-azidoocta-1,6-diene has a molecular weight of 151.21 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azidoocta-1,6-diene is sourced from PubChem (CID 134851056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).