(1Z)-5-azidocyclooctene

C8H13N3 — CID 13061128

IUPAC(1Z)-5-azidocyclooctene
SMILES[N-]=[N+]=NC1CC/C=C\CCC1
InChIInChI=1S/C8H13N3/c9-11-10-8-6-4-2-1-3-5-7-8/h1-2,8H,3-7H2/b2-1-
InChIKeyPZIZTGOMQUDWJF-UPHRSURJSA-N
MW151.21 g/mol
LogP3.19
Rot. Bonds1

About (1Z)-5-azidocyclooctene

(1Z)-5-azidocyclooctene (PubChem CID 13061128) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (1Z)-5-azidocyclooctene.

Molecular Properties

Compound Name(1Z)-5-azidocyclooctene
PubChem CID13061128
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(1Z)-5-azidocyclooctene
SMILES[N-]=[N+]=NC1CC/C=C\CCC1
InChIInChI=1S/C8H13N3/c9-11-10-8-6-4-2-1-3-5-7-8/h1-2,8H,3-7H2/b2-1-
InChIKeyPZIZTGOMQUDWJF-UPHRSURJSA-N
XLogP3.19
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 53.19
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'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-5-azidocyclooctene?
The IUPAC name of (1Z)-5-azidocyclooctene (CID 13061128) is (1Z)-5-azidocyclooctene.
What is the SMILES notation for (1Z)-5-azidocyclooctene?
The canonical SMILES for (1Z)-5-azidocyclooctene is [N-]=[N+]=NC1CC/C=C\CCC1.
What is the InChIKey of (1Z)-5-azidocyclooctene?
The InChIKey is PZIZTGOMQUDWJF-UPHRSURJSA-N. The full InChI is InChI=1S/C8H13N3/c9-11-10-8-6-4-2-1-3-5-7-8/h1-2,8H,3-7H2/b2-1-.
What are the key properties of (1Z)-5-azidocyclooctene?
(1Z)-5-azidocyclooctene has a molecular weight of 151.21 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-5-azidocyclooctene is sourced from PubChem (CID 13061128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).