8-azidocyclooct-4-en-1-ol

C8H13N3O — CID 173485913

IUPAC8-azidocyclooct-4-en-1-ol
SMILES[N-]=[N+]=NC1CCC=CCCC1O
InChIInChI=1S/C8H13N3O/c9-11-10-7-5-3-1-2-4-6-8(7)12/h1-2,7-8,12H,3-6H2
InChIKeyXVSMHEMDSKGCNZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.16
Rot. Bonds1

About 8-azidocyclooct-4-en-1-ol

8-azidocyclooct-4-en-1-ol (PubChem CID 173485913) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 8-azidocyclooct-4-en-1-ol.

Molecular Properties

Compound Name8-azidocyclooct-4-en-1-ol
PubChem CID173485913
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name8-azidocyclooct-4-en-1-ol
SMILES[N-]=[N+]=NC1CCC=CCCC1O
InChIInChI=1S/C8H13N3O/c9-11-10-7-5-3-1-2-4-6-8(7)12/h1-2,7-8,12H,3-6H2
InChIKeyXVSMHEMDSKGCNZ-UHFFFAOYSA-N
XLogP2.16
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine
CID 167634886
(3R,4S)-3,4-diazidocyclohexene
CID 101364025
2,5-diazidocyclopentan-1-ol
CID 85255446
(1S,2S,4S,5S)-2,5-diazidocyclohexane-1,4-diol
CID 131137989
(1R,2S,3R)-3-azidocyclohexane-1,2-diol
CID 13427856
5-azidocyclooctene
CID 73165272
(1R,2R,3S)-3-azidocyclohexane-1,2-diol
CID 13427857
(1R,2S,3S)-3-azidocyclohexane-1,2-diol
CID 13427858
(3R,4R)-4-azido-1-methylpiperidin-3-ol
CID 149434787
cis-(1R,3S)-2-azidocyclopentane-1,3-diol
CID 130822614
trans-(3R,4R)-3,4-diazidocyclopentan-1-ol
CID 173485365
4-azido-1-methylsulfonylpiperidin-3-ol
CID 21070649

Frequently Asked Questions

What is the IUPAC name of 8-azidocyclooct-4-en-1-ol?
The IUPAC name of 8-azidocyclooct-4-en-1-ol (CID 173485913) is 8-azidocyclooct-4-en-1-ol.
What is the SMILES notation for 8-azidocyclooct-4-en-1-ol?
The canonical SMILES for 8-azidocyclooct-4-en-1-ol is [N-]=[N+]=NC1CCC=CCCC1O.
What is the InChIKey of 8-azidocyclooct-4-en-1-ol?
The InChIKey is XVSMHEMDSKGCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-11-10-7-5-3-1-2-4-6-8(7)12/h1-2,7-8,12H,3-6H2.
What are the key properties of 8-azidocyclooct-4-en-1-ol?
8-azidocyclooct-4-en-1-ol has a molecular weight of 167.21 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azidocyclooct-4-en-1-ol is sourced from PubChem (CID 173485913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).