(4-aminophenyl) selenocyanate

C7H6N2Se — CID 575906

IUPAC(4-aminophenyl) selenocyanate
SMILESN#C[Se]c1ccc(N)cc1
InChIInChI=1S/C7H6N2Se/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,9H2
InChIKeyUMRQUSGJQJGLNV-UHFFFAOYSA-N
MW197.10 g/mol
LogP0.08
Rot. Bonds1

About (4-aminophenyl) selenocyanate

(4-aminophenyl) selenocyanate (PubChem CID 575906) has the molecular formula C7H6N2Se and a molecular weight of 197.10 g/mol. Its IUPAC name is (4-aminophenyl) selenocyanate.

Molecular Properties

Compound Name(4-aminophenyl) selenocyanate
PubChem CID575906
Molecular FormulaC7H6N2Se
Molecular Weight197.10 g/mol
Exact Mass197.97
IUPAC Name(4-aminophenyl) selenocyanate
SMILESN#C[Se]c1ccc(N)cc1
InChIInChI=1S/C7H6N2Se/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,9H2
InChIKeyUMRQUSGJQJGLNV-UHFFFAOYSA-N
XLogP0.08
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.10
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl) selenocyanate?
The IUPAC name of (4-aminophenyl) selenocyanate (CID 575906) is (4-aminophenyl) selenocyanate.
What is the SMILES notation for (4-aminophenyl) selenocyanate?
The canonical SMILES for (4-aminophenyl) selenocyanate is N#C[Se]c1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl) selenocyanate?
The InChIKey is UMRQUSGJQJGLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2Se/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,9H2.
What are the key properties of (4-aminophenyl) selenocyanate?
(4-aminophenyl) selenocyanate has a molecular weight of 197.10 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl) selenocyanate is sourced from PubChem (CID 575906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).