[(3E)-penta-1,3-dien-3-yl]iminoazanium

C5H9N2+ — CID 58165728

IUPAC[(3E)-penta-1,3-dien-3-yl]iminoazanium
SMILESC=C/C(=C\C)N=[NH2+]
InChIInChI=1S/C5H8N2/c1-3-5(4-2)7-6/h3-4,6H,1H2,2H3/p+1/b5-4+,7-6?
InChIKeyFSQFEXPARIVWOT-DBYMJTHYSA-O
MW97.14 g/mol
LogP0.29
Rot. Bonds2

About [(3E)-penta-1,3-dien-3-yl]iminoazanium

[(3E)-penta-1,3-dien-3-yl]iminoazanium (PubChem CID 58165728) has the molecular formula C5H9N2+ and a molecular weight of 97.14 g/mol. Its IUPAC name is [(3E)-penta-1,3-dien-3-yl]iminoazanium.

Molecular Properties

Compound Name[(3E)-penta-1,3-dien-3-yl]iminoazanium
PubChem CID58165728
Molecular FormulaC5H9N2+
Molecular Weight97.14 g/mol
Exact Mass97.08
IUPAC Name[(3E)-penta-1,3-dien-3-yl]iminoazanium
SMILESC=C/C(=C\C)N=[NH2+]
InChIInChI=1S/C5H8N2/c1-3-5(4-2)7-6/h3-4,6H,1H2,2H3/p+1/b5-4+,7-6?
InChIKeyFSQFEXPARIVWOT-DBYMJTHYSA-O
XLogP0.29
TPSA37.95 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.14
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(3E)-3-(aminodiazenyl)-2-fluoropenta-1,3-diene
CID 117713799
4-Aminoazobenzene auramine
CID 129729459
Lithium (aminodiazenyl)benzene
CID 18388300
But-2-en-2-yldiazene
CID 20732290
Penta-1,3-dien-3-yldiazene
CID 53816379
[(3E)-penta-1,3-dien-3-yl]diazene
CID 58165729
Phenyl(prop-1-en-2-yl)diazene;tungsten
CID 58671822
(3E)-penta-1,3-diene-3-diazonium
CID 58729376
Phenyliminoazanium;yttrium
CID 59076289
1-Imino-2,5-dimethylpyrrol-1-ium
CID 69370350
Penta-1,3-diene-3-diazonium
CID 72404301
[(2Z,4E)-hexa-2,4-dien-2-yl]diazene
CID 87525730

Frequently Asked Questions

What is the IUPAC name of [(3E)-penta-1,3-dien-3-yl]iminoazanium?
The IUPAC name of [(3E)-penta-1,3-dien-3-yl]iminoazanium (CID 58165728) is [(3E)-penta-1,3-dien-3-yl]iminoazanium.
What is the SMILES notation for [(3E)-penta-1,3-dien-3-yl]iminoazanium?
The canonical SMILES for [(3E)-penta-1,3-dien-3-yl]iminoazanium is C=C/C(=C\C)N=[NH2+].
What is the InChIKey of [(3E)-penta-1,3-dien-3-yl]iminoazanium?
The InChIKey is FSQFEXPARIVWOT-DBYMJTHYSA-O. The full InChI is InChI=1S/C5H8N2/c1-3-5(4-2)7-6/h3-4,6H,1H2,2H3/p+1/b5-4+,7-6?.
What are the key properties of [(3E)-penta-1,3-dien-3-yl]iminoazanium?
[(3E)-penta-1,3-dien-3-yl]iminoazanium has a molecular weight of 97.14 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-penta-1,3-dien-3-yl]iminoazanium is sourced from PubChem (CID 58165728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).