(1Z,6R)-5-azido-6-methylcyclooctene

C9H15N3 — CID 54535354

IUPAC(1Z,6R)-5-azido-6-methylcyclooctene
SMILESC[C@@H]1CC/C=C\CCC1N=[N+]=[N-]
InChIInChI=1S/C9H15N3/c1-8-6-4-2-3-5-7-9(8)11-12-10/h2-3,8-9H,4-7H2,1H3/b3-2-/t8-,9?/m1/s1
InChIKeyYZJRBQRGNGNVHT-VNARCXTPSA-N
MW165.24 g/mol
LogP3.43
Rot. Bonds1

About (1Z,6R)-5-azido-6-methylcyclooctene

(1Z,6R)-5-azido-6-methylcyclooctene (PubChem CID 54535354) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (1Z,6R)-5-azido-6-methylcyclooctene.

Molecular Properties

Compound Name(1Z,6R)-5-azido-6-methylcyclooctene
PubChem CID54535354
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(1Z,6R)-5-azido-6-methylcyclooctene
SMILESC[C@@H]1CC/C=C\CCC1N=[N+]=[N-]
InChIInChI=1S/C9H15N3/c1-8-6-4-2-3-5-7-9(8)11-12-10/h2-3,8-9H,4-7H2,1H3/b3-2-/t8-,9?/m1/s1
InChIKeyYZJRBQRGNGNVHT-VNARCXTPSA-N
XLogP3.43
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 53.43
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

(1S,5R)-7-azidobicyclo[3.3.1]non-2-ene
CID 134858467
(1Z)-5-azidocyclooctene
CID 13061128
(5E,9E)-3,12-di(butan-2-yl)-1,2-diazacyclododeca-1,5,9-triene
CID 22811411
(5E,9E)-3,12-di(pentan-2-yl)-1,2-diazacyclododeca-1,5,9-triene
CID 22811412
(5E,9E)-3,12-di(octan-4-yl)-1,2-diazacyclododeca-1,5,9-triene
CID 22812441
(5Z,9Z)-3,12-di(octan-4-yl)-1,2-diazacyclododeca-1,5,9-triene
CID 23455926
(5Z,9Z)-3,12-di(pentan-2-yl)-1,2-diazacyclododeca-1,5,9-triene
CID 23455928
(5Z,9Z)-3,12-di(butan-2-yl)-1,2-diazacyclododeca-1,5,9-triene
CID 23455930
3,12-Di-(2-pentyl)-1,2-diaza-1,5,9-cyclododecatriene
CID 56611263
3,12-Di-(2-butyl)-1,2-diaza-1,5,9-cyclododecatriene
CID 56628760
3,12-Di-(4-octyl)-1,2-diaza-1,5,9-cyclododecatriene
CID 56639015
3,4,4a,5,8,8a-Hexahydrocinnoline
CID 56981779

Frequently Asked Questions

What is the IUPAC name of (1Z,6R)-5-azido-6-methylcyclooctene?
The IUPAC name of (1Z,6R)-5-azido-6-methylcyclooctene (CID 54535354) is (1Z,6R)-5-azido-6-methylcyclooctene.
What is the SMILES notation for (1Z,6R)-5-azido-6-methylcyclooctene?
The canonical SMILES for (1Z,6R)-5-azido-6-methylcyclooctene is C[C@@H]1CC/C=C\CCC1N=[N+]=[N-].
What is the InChIKey of (1Z,6R)-5-azido-6-methylcyclooctene?
The InChIKey is YZJRBQRGNGNVHT-VNARCXTPSA-N. The full InChI is InChI=1S/C9H15N3/c1-8-6-4-2-3-5-7-9(8)11-12-10/h2-3,8-9H,4-7H2,1H3/b3-2-/t8-,9?/m1/s1.
What are the key properties of (1Z,6R)-5-azido-6-methylcyclooctene?
(1Z,6R)-5-azido-6-methylcyclooctene has a molecular weight of 165.24 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,6R)-5-azido-6-methylcyclooctene is sourced from PubChem (CID 54535354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).