[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene

C8H12N2 — CID 123727286

IUPAC[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene
SMILES[H]/N=N/C(/C=C\C=C)=C/CC
InChIInChI=1S/C8H12N2/c1-3-5-7-8(10-9)6-4-2/h3,5-7,9H,1,4H2,2H3/b7-5-,8-6+,10-9+
InChIKeyHLRFYWJTLKERMY-ANMZKREPSA-N
MW136.20 g/mol
LogP3.05
Rot. Bonds4

About [(3E,5Z)-octa-3,5,7-trien-4-yl]diazene

[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene (PubChem CID 123727286) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is [(3E,5Z)-octa-3,5,7-trien-4-yl]diazene.

Molecular Properties

Compound Name[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene
PubChem CID123727286
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene
SMILES[H]/N=N/C(/C=C\C=C)=C/CC
InChIInChI=1S/C8H12N2/c1-3-5-7-8(10-9)6-4-2/h3,5-7,9H,1,4H2,2H3/b7-5-,8-6+,10-9+
InChIKeyHLRFYWJTLKERMY-ANMZKREPSA-N
XLogP3.05
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1Z,3E)-1-fluoro-2-methylhepta-1,3-dien-3-yl]diazene
CID 123261386
2-Azido-5-propan-2-ylidenecyclopenta-1,3-diene
CID 134861620
Penta-1,3-dien-3-yldiazene
CID 53816379
1-(Aminodiazenyl)-4-methylbenzene-6-ide;yttrium
CID 57641196
[(3E)-penta-1,3-dien-3-yl]iminoazanium
CID 58165728
[(3E)-penta-1,3-dien-3-yl]diazene
CID 58165729
Benzene;(2-methylbenzene-4-id-1-yl)iminoazanium;yttrium
CID 59972132
3-Propylidenediazepine
CID 69059164
methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene
CID 88964772
N-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine
CID 88991335
[(3E,5Z)-octa-3,5-dien-4-yl]diazene
CID 89030933
[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]diazene
CID 89278503

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-octa-3,5,7-trien-4-yl]diazene?
The IUPAC name of [(3E,5Z)-octa-3,5,7-trien-4-yl]diazene (CID 123727286) is [(3E,5Z)-octa-3,5,7-trien-4-yl]diazene.
What is the SMILES notation for [(3E,5Z)-octa-3,5,7-trien-4-yl]diazene?
The canonical SMILES for [(3E,5Z)-octa-3,5,7-trien-4-yl]diazene is [H]/N=N/C(/C=C\C=C)=C/CC.
What is the InChIKey of [(3E,5Z)-octa-3,5,7-trien-4-yl]diazene?
The InChIKey is HLRFYWJTLKERMY-ANMZKREPSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-5-7-8(10-9)6-4-2/h3,5-7,9H,1,4H2,2H3/b7-5-,8-6+,10-9+.
What are the key properties of [(3E,5Z)-octa-3,5,7-trien-4-yl]diazene?
[(3E,5Z)-octa-3,5,7-trien-4-yl]diazene has a molecular weight of 136.20 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-octa-3,5,7-trien-4-yl]diazene is sourced from PubChem (CID 123727286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).