2-(4-aminophenyl)selanylacetonitrile

C8H8N2Se — CID 155516428

IUPAC2-(4-aminophenyl)selanylacetonitrile
SMILESN#CC[Se]c1ccc(N)cc1
InChIInChI=1S/C8H8N2Se/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,6,10H2
InChIKeyKSBUYROXWNGBTA-UHFFFAOYSA-N
MW211.13 g/mol
LogP0.54
Rot. Bonds2

About 2-(4-aminophenyl)selanylacetonitrile

2-(4-aminophenyl)selanylacetonitrile (PubChem CID 155516428) has the molecular formula C8H8N2Se and a molecular weight of 211.13 g/mol. Its IUPAC name is 2-(4-aminophenyl)selanylacetonitrile.

Molecular Properties

Compound Name2-(4-aminophenyl)selanylacetonitrile
PubChem CID155516428
Molecular FormulaC8H8N2Se
Molecular Weight211.13 g/mol
Exact Mass211.99
IUPAC Name2-(4-aminophenyl)selanylacetonitrile
SMILESN#CC[Se]c1ccc(N)cc1
InChIInChI=1S/C8H8N2Se/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,6,10H2
InChIKeyKSBUYROXWNGBTA-UHFFFAOYSA-N
XLogP0.54
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.13
LogP ≤ 50.54
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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Related Compounds

4-[(4-bromophenyl)methylselanyl]aniline
CID 162787602
4-amino(13C)benzonitrile
CID 10080388
aniline;2-hydroxyacetonitrile
CID 158486544
benzene-1,4-diamine;nickel
CID 87271840
benzene-1,4-diamine;methane
CID 158825195
4-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 61140706
3-(4-aminoanilino)propanenitrile
CID 54494405
5-(4-aminophenyl)pentanenitrile
CID 13350835
3,3-bis(4-aminophenyl)butanenitrile
CID 154634129
2-[4-(4-aminoanilino)phenyl]acetonitrile
CID 62302194
acetonitrile;4-chloroaniline
CID 174309916
sodium;4-(4-aminophenyl)sulfonylaniline;cyanate
CID 67466349

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)selanylacetonitrile?
The IUPAC name of 2-(4-aminophenyl)selanylacetonitrile (CID 155516428) is 2-(4-aminophenyl)selanylacetonitrile.
What is the SMILES notation for 2-(4-aminophenyl)selanylacetonitrile?
The canonical SMILES for 2-(4-aminophenyl)selanylacetonitrile is N#CC[Se]c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)selanylacetonitrile?
The InChIKey is KSBUYROXWNGBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2Se/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,6,10H2.
What are the key properties of 2-(4-aminophenyl)selanylacetonitrile?
2-(4-aminophenyl)selanylacetonitrile has a molecular weight of 211.13 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)selanylacetonitrile is sourced from PubChem (CID 155516428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).