imino(1-phenylethenylimino)azanium

C8H8N3+ — CID 6333477

IUPACimino(1-phenylethenylimino)azanium
SMILESC=C(N=[N+]=N)c1ccccc1
InChIInChI=1S/C8H8N3/c1-7(10-11-9)8-5-3-2-4-6-8/h2-6,9H,1H2/q+1
InChIKeyIDIXYTAWDVHKCY-UHFFFAOYSA-N
MW146.17 g/mol
LogP2.21
Rot. Bonds2

About imino(1-phenylethenylimino)azanium

imino(1-phenylethenylimino)azanium (PubChem CID 6333477) has the molecular formula C8H8N3+ and a molecular weight of 146.17 g/mol. Its IUPAC name is imino(1-phenylethenylimino)azanium.

Molecular Properties

Compound Nameimino(1-phenylethenylimino)azanium
PubChem CID6333477
Molecular FormulaC8H8N3+
Molecular Weight146.17 g/mol
Exact Mass146.07
IUPAC Nameimino(1-phenylethenylimino)azanium
SMILESC=C(N=[N+]=N)c1ccccc1
InChIInChI=1S/C8H8N3/c1-7(10-11-9)8-5-3-2-4-6-8/h2-6,9H,1H2/q+1
InChIKeyIDIXYTAWDVHKCY-UHFFFAOYSA-N
XLogP2.21
TPSA50.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 52.21
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

imino-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]iminoazanium
CID 6333032
1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
4-phenylpenta-1,4-dien-2-ylbenzene
CID 102571838
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
phenacyl
CID 11123355
diphenylmethanimine;ethane
CID 145102767
CID 155933664
CID 155933664
1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine
CID 134331110
(E)-1,2-diphenylethene-1,2-diolate
CID 14292352
1-bromoethenylbenzene;sulfane
CID 175924538
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444

Frequently Asked Questions

What is the IUPAC name of imino(1-phenylethenylimino)azanium?
The IUPAC name of imino(1-phenylethenylimino)azanium (CID 6333477) is imino(1-phenylethenylimino)azanium.
What is the SMILES notation for imino(1-phenylethenylimino)azanium?
The canonical SMILES for imino(1-phenylethenylimino)azanium is C=C(N=[N+]=N)c1ccccc1.
What is the InChIKey of imino(1-phenylethenylimino)azanium?
The InChIKey is IDIXYTAWDVHKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N3/c1-7(10-11-9)8-5-3-2-4-6-8/h2-6,9H,1H2/q+1.
What are the key properties of imino(1-phenylethenylimino)azanium?
imino(1-phenylethenylimino)azanium has a molecular weight of 146.17 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino(1-phenylethenylimino)azanium is sourced from PubChem (CID 6333477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).