di(cyclohexa-2,4-dien-1-yl)diazene

C12H14N2 — CID 19800876

IUPACdi(cyclohexa-2,4-dien-1-yl)diazene
SMILESC1=CCC(/N=N/C2C=CC=CC2)C=C1
InChIInChI=1S/C12H14N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-7,9,11-12H,8,10H2/b14-13+
InChIKeyXLJIYHKBBIFSHT-BUHFOSPRSA-N
MW186.26 g/mol
LogP3.21
Rot. Bonds2

About di(cyclohexa-2,4-dien-1-yl)diazene

di(cyclohexa-2,4-dien-1-yl)diazene (PubChem CID 19800876) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is di(cyclohexa-2,4-dien-1-yl)diazene.

Molecular Properties

Compound Namedi(cyclohexa-2,4-dien-1-yl)diazene
PubChem CID19800876
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Namedi(cyclohexa-2,4-dien-1-yl)diazene
SMILESC1=CCC(/N=N/C2C=CC=CC2)C=C1
InChIInChI=1S/C12H14N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-7,9,11-12H,8,10H2/b14-13+
InChIKeyXLJIYHKBBIFSHT-BUHFOSPRSA-N
XLogP3.21
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.21
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 di(cyclohexa-2,4-dien-1-yl)diazene?
The IUPAC name of di(cyclohexa-2,4-dien-1-yl)diazene (CID 19800876) is di(cyclohexa-2,4-dien-1-yl)diazene.
What is the SMILES notation for di(cyclohexa-2,4-dien-1-yl)diazene?
The canonical SMILES for di(cyclohexa-2,4-dien-1-yl)diazene is C1=CCC(/N=N/C2C=CC=CC2)C=C1.
What is the InChIKey of di(cyclohexa-2,4-dien-1-yl)diazene?
The InChIKey is XLJIYHKBBIFSHT-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-7,9,11-12H,8,10H2/b14-13+.
What are the key properties of di(cyclohexa-2,4-dien-1-yl)diazene?
di(cyclohexa-2,4-dien-1-yl)diazene has a molecular weight of 186.26 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclohexa-2,4-dien-1-yl)diazene is sourced from PubChem (CID 19800876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).