3-diphenylsilylprop-2-ynenitrile

C15H11NSi — CID 152514237

IUPAC3-diphenylsilylprop-2-ynenitrile
SMILESN#CC#C[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11NSi/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17H
InChIKeyYGDSMKROKBMSMS-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.09
Rot. Bonds2

About 3-diphenylsilylprop-2-ynenitrile

3-diphenylsilylprop-2-ynenitrile (PubChem CID 152514237) has the molecular formula C15H11NSi and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-diphenylsilylprop-2-ynenitrile.

Molecular Properties

Compound Name3-diphenylsilylprop-2-ynenitrile
PubChem CID152514237
Molecular FormulaC15H11NSi
Molecular Weight233.35 g/mol
Exact Mass233.07
IUPAC Name3-diphenylsilylprop-2-ynenitrile
SMILESN#CC#C[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11NSi/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17H
InChIKeyYGDSMKROKBMSMS-UHFFFAOYSA-N
XLogP1.09
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

buta-1,3-diynyl(diphenyl)silane
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diphenyldiazene;oxalonitrile
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dichloromethyl(diphenyl)silane
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3-diphenylsilylpropanenitrile
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(Z)-3-chloro-2,3-diphenylprop-2-enenitrile
CID 21395317
oxalonitrile;phenoxyphosphane
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[amino(chloro)silyl]benzene
CID 174569946
benzoic acid;titanium;dihydrate
CID 173067464
1-bromo-2-chlorobenzene;oxalonitrile
CID 174596541

Frequently Asked Questions

What is the IUPAC name of 3-diphenylsilylprop-2-ynenitrile?
The IUPAC name of 3-diphenylsilylprop-2-ynenitrile (CID 152514237) is 3-diphenylsilylprop-2-ynenitrile.
What is the SMILES notation for 3-diphenylsilylprop-2-ynenitrile?
The canonical SMILES for 3-diphenylsilylprop-2-ynenitrile is N#CC#C[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylsilylprop-2-ynenitrile?
The InChIKey is YGDSMKROKBMSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NSi/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17H.
What are the key properties of 3-diphenylsilylprop-2-ynenitrile?
3-diphenylsilylprop-2-ynenitrile has a molecular weight of 233.35 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylsilylprop-2-ynenitrile is sourced from PubChem (CID 152514237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).