3-diphenylsilylpropanenitrile

C15H15NSi — CID 123721603

IUPAC3-diphenylsilylpropanenitrile
SMILESN#CCC[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NSi/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17H,7,13H2
InChIKeyILHRXTVCGRBIKC-UHFFFAOYSA-N
MW237.38 g/mol
LogP1.94
Rot. Bonds4

About 3-diphenylsilylpropanenitrile

3-diphenylsilylpropanenitrile (PubChem CID 123721603) has the molecular formula C15H15NSi and a molecular weight of 237.38 g/mol. Its IUPAC name is 3-diphenylsilylpropanenitrile.

Molecular Properties

Compound Name3-diphenylsilylpropanenitrile
PubChem CID123721603
Molecular FormulaC15H15NSi
Molecular Weight237.38 g/mol
Exact Mass237.10
IUPAC Name3-diphenylsilylpropanenitrile
SMILESN#CCC[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NSi/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17H,7,13H2
InChIKeyILHRXTVCGRBIKC-UHFFFAOYSA-N
XLogP1.94
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-diphenylsilylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[methyl(phenyl)silyl]butanenitrile
CID 123718156
2-diphenylsilylethanethiol
CID 173443677
[N-(2-cyanoethyl)anilino]methyl-trifluoroboranuide
CID 55233978
3-[2-[2-[2-(2-cyanoethyl)phenyl]ethynyl]phenyl]propanenitrile
CID 134843592
1,1'-biphenyl;pentanenitrile
CID 161141924
2-cyanoethyl benzenecarbodithioate
CID 87380012
pentanenitrile;toluene
CID 158377987
4-cyanobutyl(triphenyl)phosphanium bromide
CID 11418829
3-[methyl(phenyl)phosphanyl]propanenitrile
CID 86160293
4-iodo-4-phenylbutanenitrile
CID 57240454
4,4-diphenyl-4-sulfanylbutanenitrile
CID 174714594
4,4-difluoro-4-phenylbutanenitrile
CID 116840833

Frequently Asked Questions

What is the IUPAC name of 3-diphenylsilylpropanenitrile?
The IUPAC name of 3-diphenylsilylpropanenitrile (CID 123721603) is 3-diphenylsilylpropanenitrile.
What is the SMILES notation for 3-diphenylsilylpropanenitrile?
The canonical SMILES for 3-diphenylsilylpropanenitrile is N#CCC[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylsilylpropanenitrile?
The InChIKey is ILHRXTVCGRBIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NSi/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17H,7,13H2.
What are the key properties of 3-diphenylsilylpropanenitrile?
3-diphenylsilylpropanenitrile has a molecular weight of 237.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylsilylpropanenitrile is sourced from PubChem (CID 123721603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).