2-selanylbutanenitrile

C4H7NSe — CID 175358380

IUPAC2-selanylbutanenitrile
SMILESCCC([SeH])C#N
InChIInChI=1S/C4H7NSe/c1-2-4(6)3-5/h4,6H,2H2,1H3
InChIKeyQXQPTZIPLVKVIJ-UHFFFAOYSA-N
MW148.07 g/mol
LogP0.61
Rot. Bonds1

About 2-selanylbutanenitrile

2-selanylbutanenitrile (PubChem CID 175358380) has the molecular formula C4H7NSe and a molecular weight of 148.07 g/mol. Its IUPAC name is 2-selanylbutanenitrile.

Molecular Properties

Compound Name2-selanylbutanenitrile
PubChem CID175358380
Molecular FormulaC4H7NSe
Molecular Weight148.07 g/mol
Exact Mass148.97
IUPAC Name2-selanylbutanenitrile
SMILESCCC([SeH])C#N
InChIInChI=1S/C4H7NSe/c1-2-4(6)3-5/h4,6H,2H2,1H3
InChIKeyQXQPTZIPLVKVIJ-UHFFFAOYSA-N
XLogP0.61
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.07
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-selanylpropanenitrile;hydrobromide
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chloro-dicyano-ethylphosphanium
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sodium 2-methylbutanenitrile
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2-ethylpropane-1,1,3,3-tetracarbonitrile
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2-(oxomethyl)butanenitrile
CID 102206896
2-[tert-butyl(methyl)amino]butanenitrile
CID 131042898
butane-1,1,1,2-tetracarbonitrile
CID 175145346
1-cyanopropyl(oxo)sulfanium
CID 174531591
(2S)-2-formylbutanenitrile
CID 93296310
(3R)-3-hydroxy-2-methylpentanenitrile
CID 141061922
2-chlorosilylbutanenitrile
CID 173020167
1-cyanopropyl-ethoxy-oxophosphanium
CID 130464298

Frequently Asked Questions

What is the IUPAC name of 2-selanylbutanenitrile?
The IUPAC name of 2-selanylbutanenitrile (CID 175358380) is 2-selanylbutanenitrile.
What is the SMILES notation for 2-selanylbutanenitrile?
The canonical SMILES for 2-selanylbutanenitrile is CCC([SeH])C#N.
What is the InChIKey of 2-selanylbutanenitrile?
The InChIKey is QXQPTZIPLVKVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NSe/c1-2-4(6)3-5/h4,6H,2H2,1H3.
What are the key properties of 2-selanylbutanenitrile?
2-selanylbutanenitrile has a molecular weight of 148.07 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-selanylbutanenitrile is sourced from PubChem (CID 175358380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).