phenyl(prop-1-en-2-yl)diazene;tungsten

C9H9N2W- — CID 58671822

IUPACphenyl(prop-1-en-2-yl)diazene;tungsten
SMILESC=C(C)/N=N/c1cc[c-]cc1.[W]
InChIInChI=1S/C9H9N2.W/c1-8(2)10-11-9-6-4-3-5-7-9;/h4-7H,1H2,2H3;/q-1;/b11-10+;
InChIKeyYDSFAGPUFXLIHC-ASTDGNLGSA-N
MW329.03 g/mol
LogP3.10
Rot. Bonds2

About phenyl(prop-1-en-2-yl)diazene;tungsten

phenyl(prop-1-en-2-yl)diazene;tungsten (PubChem CID 58671822) has the molecular formula C9H9N2W- and a molecular weight of 329.03 g/mol. Its IUPAC name is phenyl(prop-1-en-2-yl)diazene;tungsten.

Molecular Properties

Compound Namephenyl(prop-1-en-2-yl)diazene;tungsten
PubChem CID58671822
Molecular FormulaC9H9N2W-
Molecular Weight329.03 g/mol
Exact Mass329.03
IUPAC Namephenyl(prop-1-en-2-yl)diazene;tungsten
SMILESC=C(C)/N=N/c1cc[c-]cc1.[W]
InChIInChI=1S/C9H9N2.W/c1-8(2)10-11-9-6-4-3-5-7-9;/h4-7H,1H2,2H3;/q-1;/b11-10+;
InChIKeyYDSFAGPUFXLIHC-ASTDGNLGSA-N
XLogP3.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.03
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

Benzene;benzenediazonium;yttrium
CID 138981301
Di(phenyl)diazene;bis(yttrium)
CID 162401694
Penta-1,3-dien-3-yldiazene
CID 53816379
[(3E)-penta-1,3-dien-3-yl]iminoazanium
CID 58165728
[(3E)-penta-1,3-dien-3-yl]diazene
CID 58165729
Benzene;benzenediazonium;yttrium
CID 58862949
[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]diazene
CID 89363364
bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]diazene
CID 89758547
(3E)-3-azidopenta-1,3-diene
CID 122631325
Hexa-2,4-diene-3-diazonium
CID 123583550
bis[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]diazene
CID 126658490
[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]diazene
CID 126761454

Frequently Asked Questions

What is the IUPAC name of phenyl(prop-1-en-2-yl)diazene;tungsten?
The IUPAC name of phenyl(prop-1-en-2-yl)diazene;tungsten (CID 58671822) is phenyl(prop-1-en-2-yl)diazene;tungsten.
What is the SMILES notation for phenyl(prop-1-en-2-yl)diazene;tungsten?
The canonical SMILES for phenyl(prop-1-en-2-yl)diazene;tungsten is C=C(C)/N=N/c1cc[c-]cc1.[W].
What is the InChIKey of phenyl(prop-1-en-2-yl)diazene;tungsten?
The InChIKey is YDSFAGPUFXLIHC-ASTDGNLGSA-N. The full InChI is InChI=1S/C9H9N2.W/c1-8(2)10-11-9-6-4-3-5-7-9;/h4-7H,1H2,2H3;/q-1;/b11-10+;.
What are the key properties of phenyl(prop-1-en-2-yl)diazene;tungsten?
phenyl(prop-1-en-2-yl)diazene;tungsten has a molecular weight of 329.03 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(prop-1-en-2-yl)diazene;tungsten is sourced from PubChem (CID 58671822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).