(1E,3Z)-2-azidocycloocta-1,3-diene

C8H11N3 — CID 15316149

IUPAC(1E,3Z)-2-azidocycloocta-1,3-diene
SMILES[N-]=[N+]=NC1=C/CCCC/C=C\1
InChIInChI=1S/C8H11N3/c9-11-10-8-6-4-2-1-3-5-7-8/h4,6-7H,1-3,5H2/b6-4-,8-7+
InChIKeyDBMUNYPDIMSLPH-IQTBQJLQSA-N
MW149.20 g/mol
LogP3.31
Rot. Bonds1

About (1E,3Z)-2-azidocycloocta-1,3-diene

(1E,3Z)-2-azidocycloocta-1,3-diene (PubChem CID 15316149) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is (1E,3Z)-2-azidocycloocta-1,3-diene.

Molecular Properties

Compound Name(1E,3Z)-2-azidocycloocta-1,3-diene
PubChem CID15316149
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name(1E,3Z)-2-azidocycloocta-1,3-diene
SMILES[N-]=[N+]=NC1=C/CCCC/C=C\1
InChIInChI=1S/C8H11N3/c9-11-10-8-6-4-2-1-3-5-7-8/h4,6-7H,1-3,5H2/b6-4-,8-7+
InChIKeyDBMUNYPDIMSLPH-IQTBQJLQSA-N
XLogP3.31
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 53.31
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Cycloocta-1,7-dien-1-amine
CID 53871745
3-Azido-1-ethylcyclohexa-1,3-diene
CID 57259895
Cyclohexa-1,5-dien-1-yl(cyclohexen-1-yl)diazene
CID 89429390
Cyclohepta-1,6-dien-1-yldiazene
CID 89828635
5-Ethylideneocta-1,3-diene-3-diazonium
CID 123497453
Bis(4,4-dideuteriocyclohexa-1,5-dien-1-yl)diazene
CID 177751595

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-azidocycloocta-1,3-diene?
The IUPAC name of (1E,3Z)-2-azidocycloocta-1,3-diene (CID 15316149) is (1E,3Z)-2-azidocycloocta-1,3-diene.
What is the SMILES notation for (1E,3Z)-2-azidocycloocta-1,3-diene?
The canonical SMILES for (1E,3Z)-2-azidocycloocta-1,3-diene is [N-]=[N+]=NC1=C/CCCC/C=C\1.
What is the InChIKey of (1E,3Z)-2-azidocycloocta-1,3-diene?
The InChIKey is DBMUNYPDIMSLPH-IQTBQJLQSA-N. The full InChI is InChI=1S/C8H11N3/c9-11-10-8-6-4-2-1-3-5-7-8/h4,6-7H,1-3,5H2/b6-4-,8-7+.
What are the key properties of (1E,3Z)-2-azidocycloocta-1,3-diene?
(1E,3Z)-2-azidocycloocta-1,3-diene has a molecular weight of 149.20 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-azidocycloocta-1,3-diene is sourced from PubChem (CID 15316149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).