5-ethylideneocta-1,3-diene-3-diazonium

C10H15N2+ — CID 123497453

IUPAC5-ethylideneocta-1,3-diene-3-diazonium
SMILESC=CC(=CC(=CC)CCC)[N+]#N
InChIInChI=1S/C10H15N2/c1-4-7-9(5-2)8-10(6-3)12-11/h5-6,8H,3-4,7H2,1-2H3/q+1
InChIKeyWLFFCOIPQSYSRI-UHFFFAOYSA-N
MW163.24 g/mol
LogP3.66
Rot. Bonds4

About 5-ethylideneocta-1,3-diene-3-diazonium

5-ethylideneocta-1,3-diene-3-diazonium (PubChem CID 123497453) has the molecular formula C10H15N2+ and a molecular weight of 163.24 g/mol. Its IUPAC name is 5-ethylideneocta-1,3-diene-3-diazonium.

Molecular Properties

Compound Name5-ethylideneocta-1,3-diene-3-diazonium
PubChem CID123497453
Molecular FormulaC10H15N2+
Molecular Weight163.24 g/mol
Exact Mass163.12
IUPAC Name5-ethylideneocta-1,3-diene-3-diazonium
SMILESC=CC(=CC(=CC)CCC)[N+]#N
InChIInChI=1S/C10H15N2/c1-4-7-9(5-2)8-10(6-3)12-11/h5-6,8H,3-4,7H2,1-2H3/q+1
InChIKeyWLFFCOIPQSYSRI-UHFFFAOYSA-N
XLogP3.66
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene
CID 143267495
(3E)-hepta-1,3-diene-3-diazonium
CID 143333570
ethane;(3E)-3-ethylidenehex-1-ene;propane;propylphosphane
CID 143343159
(Z)-2-ethenylpent-1-en-1-amine
CID 177188955
3-ethylideneoct-1-ene
CID 91511297
(2E)-4-oxo-2-propylhexa-2,5-dienal
CID 91538875
ethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene
CID 143653088
(3E)-4-hydroxyhexa-1,3-diene-3-diazonium
CID 11094601
(3Z,5Z)-5-ethylidenedodeca-1,3-diene
CID 143713569
(Z)-4-ethenyl-N-methylhept-3-en-1-amine
CID 130333267
(2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene
CID 146517614
(E)-5-ethenyl-2-methylhept-5-enenitrile
CID 154975720

Frequently Asked Questions

What is the IUPAC name of 5-ethylideneocta-1,3-diene-3-diazonium?
The IUPAC name of 5-ethylideneocta-1,3-diene-3-diazonium (CID 123497453) is 5-ethylideneocta-1,3-diene-3-diazonium.
What is the SMILES notation for 5-ethylideneocta-1,3-diene-3-diazonium?
The canonical SMILES for 5-ethylideneocta-1,3-diene-3-diazonium is C=CC(=CC(=CC)CCC)[N+]#N.
What is the InChIKey of 5-ethylideneocta-1,3-diene-3-diazonium?
The InChIKey is WLFFCOIPQSYSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2/c1-4-7-9(5-2)8-10(6-3)12-11/h5-6,8H,3-4,7H2,1-2H3/q+1.
What are the key properties of 5-ethylideneocta-1,3-diene-3-diazonium?
5-ethylideneocta-1,3-diene-3-diazonium has a molecular weight of 163.24 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylideneocta-1,3-diene-3-diazonium is sourced from PubChem (CID 123497453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).