5-azidocyclooctene

C8H13N3 — CID 73165272

IUPAC5-azidocyclooctene
SMILES[N-]=[N+]=NC1CCC=CCCC1
InChIInChI=1S/C8H13N3/c9-11-10-8-6-4-2-1-3-5-7-8/h1-2,8H,3-7H2
InChIKeyPZIZTGOMQUDWJF-UHFFFAOYSA-N
MW151.21 g/mol
LogP3.19
Rot. Bonds1

About 5-azidocyclooctene

5-azidocyclooctene (PubChem CID 73165272) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-azidocyclooctene.

Molecular Properties

Compound Name5-azidocyclooctene
PubChem CID73165272
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-azidocyclooctene
SMILES[N-]=[N+]=NC1CCC=CCCC1
InChIInChI=1S/C8H13N3/c9-11-10-8-6-4-2-1-3-5-7-8/h1-2,8H,3-7H2
InChIKeyPZIZTGOMQUDWJF-UHFFFAOYSA-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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Related Compounds

azidocycloheptane
CID 14917746
8-azidocyclooct-4-en-1-ol
CID 173485913
4-azidoazepane;hydrochloride
CID 171713539
(3R,4S)-3,4-diazidocyclohexene
CID 101364025
(1R,2R,3S)-3-azidocyclohexane-1,2-diol
CID 13427857
(1R,2S,3S)-3-azidocyclohexane-1,2-diol
CID 13427858
(1R,2S,3R)-3-azidocyclohexane-1,2-diol
CID 13427856
1,4-diazido-1-cyclooctylcyclooctane
CID 172690474
(4Z)-cyclooct-4-en-1-ol
CID 5381510
3-azido-1-cyclooctylazetidine
CID 121200393
1-(4-azidocyclohexyl)-3,5-dichlorobenzene
CID 20610099
N'-cyclohex-3-en-1-yl-N-cyclohexylethane-1,2-diimine
CID 101419683

Frequently Asked Questions

What is the IUPAC name of 5-azidocyclooctene?
The IUPAC name of 5-azidocyclooctene (CID 73165272) is 5-azidocyclooctene.
What is the SMILES notation for 5-azidocyclooctene?
The canonical SMILES for 5-azidocyclooctene is [N-]=[N+]=NC1CCC=CCCC1.
What is the InChIKey of 5-azidocyclooctene?
The InChIKey is PZIZTGOMQUDWJF-UHFFFAOYSA-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.
What are the key properties of 5-azidocyclooctene?
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 5-azidocyclooctene is sourced from PubChem (CID 73165272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).