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

C5H7N2+ — CID 58729376

IUPAC(3E)-penta-1,3-diene-3-diazonium
SMILESC=C/C(=C\C)[N+]#N
InChIInChI=1S/C5H7N2/c1-3-5(4-2)7-6/h3-4H,1H2,2H3/q+1/b5-4+
InChIKeyDKPDVISNFSJGGM-SNAWJCMRSA-N
MW95.12 g/mol
LogP1.93
Rot. Bonds1

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

(3E)-penta-1,3-diene-3-diazonium (PubChem CID 58729376) has the molecular formula C5H7N2+ and a molecular weight of 95.12 g/mol. Its IUPAC name is (3E)-penta-1,3-diene-3-diazonium.

Molecular Properties

Compound Name(3E)-penta-1,3-diene-3-diazonium
PubChem CID58729376
Molecular FormulaC5H7N2+
Molecular Weight95.12 g/mol
Exact Mass95.06
IUPAC Name(3E)-penta-1,3-diene-3-diazonium
SMILESC=C/C(=C\C)[N+]#N
InChIInChI=1S/C5H7N2/c1-3-5(4-2)7-6/h3-4H,1H2,2H3/q+1/b5-4+
InChIKeyDKPDVISNFSJGGM-SNAWJCMRSA-N
XLogP1.93
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.12
LogP ≤ 51.93
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)-penta-1,3-diene-3-diazonium?
The IUPAC name of (3E)-penta-1,3-diene-3-diazonium (CID 58729376) is (3E)-penta-1,3-diene-3-diazonium.
What is the SMILES notation for (3E)-penta-1,3-diene-3-diazonium?
The canonical SMILES for (3E)-penta-1,3-diene-3-diazonium is C=C/C(=C\C)[N+]#N.
What is the InChIKey of (3E)-penta-1,3-diene-3-diazonium?
The InChIKey is DKPDVISNFSJGGM-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H7N2/c1-3-5(4-2)7-6/h3-4H,1H2,2H3/q+1/b5-4+.
What are the key properties of (3E)-penta-1,3-diene-3-diazonium?
(3E)-penta-1,3-diene-3-diazonium has a molecular weight of 95.12 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-penta-1,3-diene-3-diazonium is sourced from PubChem (CID 58729376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).