(3E)-hepta-1,3-diene-3-diazonium

C7H11N2+ — CID 143333570

IUPAC(3E)-hepta-1,3-diene-3-diazonium
SMILESC=C/C(=C\CCC)[N+]#N
InChIInChI=1S/C7H11N2/c1-3-5-6-7(4-2)9-8/h4,6H,2-3,5H2,1H3/q+1/b7-6+
InChIKeyFLJQGOVFEYRXJM-VOTSOKGWSA-N
MW123.18 g/mol
LogP2.71
Rot. Bonds3

About (3E)-hepta-1,3-diene-3-diazonium

(3E)-hepta-1,3-diene-3-diazonium (PubChem CID 143333570) has the molecular formula C7H11N2+ and a molecular weight of 123.18 g/mol. Its IUPAC name is (3E)-hepta-1,3-diene-3-diazonium.

Molecular Properties

Compound Name(3E)-hepta-1,3-diene-3-diazonium
PubChem CID143333570
Molecular FormulaC7H11N2+
Molecular Weight123.18 g/mol
Exact Mass123.09
IUPAC Name(3E)-hepta-1,3-diene-3-diazonium
SMILESC=C/C(=C\CCC)[N+]#N
InChIInChI=1S/C7H11N2/c1-3-5-6-7(4-2)9-8/h4,6H,2-3,5H2,1H3/q+1/b7-6+
InChIKeyFLJQGOVFEYRXJM-VOTSOKGWSA-N
XLogP2.71
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 52.71
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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Frequently Asked Questions

What is the IUPAC name of (3E)-hepta-1,3-diene-3-diazonium?
The IUPAC name of (3E)-hepta-1,3-diene-3-diazonium (CID 143333570) is (3E)-hepta-1,3-diene-3-diazonium.
What is the SMILES notation for (3E)-hepta-1,3-diene-3-diazonium?
The canonical SMILES for (3E)-hepta-1,3-diene-3-diazonium is C=C/C(=C\CCC)[N+]#N.
What is the InChIKey of (3E)-hepta-1,3-diene-3-diazonium?
The InChIKey is FLJQGOVFEYRXJM-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H11N2/c1-3-5-6-7(4-2)9-8/h4,6H,2-3,5H2,1H3/q+1/b7-6+.
What are the key properties of (3E)-hepta-1,3-diene-3-diazonium?
(3E)-hepta-1,3-diene-3-diazonium has a molecular weight of 123.18 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-hepta-1,3-diene-3-diazonium is sourced from PubChem (CID 143333570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).