cyclohexa-1,5-dien-1-yl(cyclohexen-1-yl)diazene

C12H16N2 — CID 89429390

IUPACcyclohexa-1,5-dien-1-yl(cyclohexen-1-yl)diazene
SMILESC1=CC(/N=N/C2=CCCCC2)=CCC1
InChIInChI=1S/C12H16N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h3,7-9H,1-2,4-6,10H2/b14-13+
InChIKeyPUMJRZWCSGIUGF-BUHFOSPRSA-N
MW188.27 g/mol
LogP4.13
Rot. Bonds2

About cyclohexa-1,5-dien-1-yl(cyclohexen-1-yl)diazene

cyclohexa-1,5-dien-1-yl(cyclohexen-1-yl)diazene (PubChem CID 89429390) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-yl(cyclohexen-1-yl)diazene.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-yl(cyclohexen-1-yl)diazene
PubChem CID89429390
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Namecyclohexa-1,5-dien-1-yl(cyclohexen-1-yl)diazene
SMILESC1=CC(/N=N/C2=CCCCC2)=CCC1
InChIInChI=1S/C12H16N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h3,7-9H,1-2,4-6,10H2/b14-13+
InChIKeyPUMJRZWCSGIUGF-BUHFOSPRSA-N
XLogP4.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-yl(cyclohexen-1-yl)diazene?
The IUPAC name of cyclohexa-1,5-dien-1-yl(cyclohexen-1-yl)diazene (CID 89429390) is cyclohexa-1,5-dien-1-yl(cyclohexen-1-yl)diazene.
What is the SMILES notation for cyclohexa-1,5-dien-1-yl(cyclohexen-1-yl)diazene?
The canonical SMILES for cyclohexa-1,5-dien-1-yl(cyclohexen-1-yl)diazene is C1=CC(/N=N/C2=CCCCC2)=CCC1.
What is the InChIKey of cyclohexa-1,5-dien-1-yl(cyclohexen-1-yl)diazene?
The InChIKey is PUMJRZWCSGIUGF-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h3,7-9H,1-2,4-6,10H2/b14-13+.
What are the key properties of cyclohexa-1,5-dien-1-yl(cyclohexen-1-yl)diazene?
cyclohexa-1,5-dien-1-yl(cyclohexen-1-yl)diazene has a molecular weight of 188.27 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-yl(cyclohexen-1-yl)diazene is sourced from PubChem (CID 89429390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).