(4-arsorosophenyl)-cyclopenta-1,3-dien-1-yldiazene

C11H9AsN2O — CID 158514528

IUPAC(4-arsorosophenyl)-cyclopenta-1,3-dien-1-yldiazene
SMILESO=[As]c1ccc(/N=N/C2=CC=CC2)cc1
InChIInChI=1S/C11H9AsN2O/c15-12-9-5-7-11(8-6-9)14-13-10-3-1-2-4-10/h1-3,5-8H,4H2/b14-13+
InChIKeyHLLVGIVKCDRYJG-BUHFOSPRSA-N
MW260.13 g/mol
LogP2.29
Rot. Bonds3

About (4-arsorosophenyl)-cyclopenta-1,3-dien-1-yldiazene

(4-arsorosophenyl)-cyclopenta-1,3-dien-1-yldiazene (PubChem CID 158514528) has the molecular formula C11H9AsN2O and a molecular weight of 260.13 g/mol. Its IUPAC name is (4-arsorosophenyl)-cyclopenta-1,3-dien-1-yldiazene.

Molecular Properties

Compound Name(4-arsorosophenyl)-cyclopenta-1,3-dien-1-yldiazene
PubChem CID158514528
Molecular FormulaC11H9AsN2O
Molecular Weight260.13 g/mol
Exact Mass259.99
IUPAC Name(4-arsorosophenyl)-cyclopenta-1,3-dien-1-yldiazene
SMILESO=[As]c1ccc(/N=N/C2=CC=CC2)cc1
InChIInChI=1S/C11H9AsN2O/c15-12-9-5-7-11(8-6-9)14-13-10-3-1-2-4-10/h1-3,5-8H,4H2/b14-13+
InChIKeyHLLVGIVKCDRYJG-BUHFOSPRSA-N
XLogP2.29
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-arsorosophenyl)-cyclopenta-1,3-dien-1-yldiazene?
The IUPAC name of (4-arsorosophenyl)-cyclopenta-1,3-dien-1-yldiazene (CID 158514528) is (4-arsorosophenyl)-cyclopenta-1,3-dien-1-yldiazene.
What is the SMILES notation for (4-arsorosophenyl)-cyclopenta-1,3-dien-1-yldiazene?
The canonical SMILES for (4-arsorosophenyl)-cyclopenta-1,3-dien-1-yldiazene is O=[As]c1ccc(/N=N/C2=CC=CC2)cc1.
What is the InChIKey of (4-arsorosophenyl)-cyclopenta-1,3-dien-1-yldiazene?
The InChIKey is HLLVGIVKCDRYJG-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H9AsN2O/c15-12-9-5-7-11(8-6-9)14-13-10-3-1-2-4-10/h1-3,5-8H,4H2/b14-13+.
What are the key properties of (4-arsorosophenyl)-cyclopenta-1,3-dien-1-yldiazene?
(4-arsorosophenyl)-cyclopenta-1,3-dien-1-yldiazene has a molecular weight of 260.13 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-arsorosophenyl)-cyclopenta-1,3-dien-1-yldiazene is sourced from PubChem (CID 158514528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).