4-[dimethyl(phenyl)silyl]carbonylbenzonitrile

C16H15NOSi — CID 14937840

IUPAC4-[dimethyl(phenyl)silyl]carbonylbenzonitrile
SMILESC[Si](C)(C(=O)c1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C16H15NOSi/c1-19(2,15-6-4-3-5-7-15)16(18)14-10-8-13(12-17)9-11-14/h3-11H,1-2H3
InChIKeyANBYHIFOCCPYEQ-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.90
Rot. Bonds3

About 4-[dimethyl(phenyl)silyl]carbonylbenzonitrile

4-[dimethyl(phenyl)silyl]carbonylbenzonitrile (PubChem CID 14937840) has the molecular formula C16H15NOSi and a molecular weight of 265.39 g/mol. Its IUPAC name is 4-[dimethyl(phenyl)silyl]carbonylbenzonitrile.

Molecular Properties

Compound Name4-[dimethyl(phenyl)silyl]carbonylbenzonitrile
PubChem CID14937840
Molecular FormulaC16H15NOSi
Molecular Weight265.39 g/mol
Exact Mass265.09
IUPAC Name4-[dimethyl(phenyl)silyl]carbonylbenzonitrile
SMILESC[Si](C)(C(=O)c1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C16H15NOSi/c1-19(2,15-6-4-3-5-7-15)16(18)14-10-8-13(12-17)9-11-14/h3-11H,1-2H3
InChIKeyANBYHIFOCCPYEQ-UHFFFAOYSA-N
XLogP2.90
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-triethylsilylcarbonylbenzonitrile
CID 11413901
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4-(2-phenylprop-2-enoyl)benzonitrile
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4-[(E)-C-acetyl-N-anilinocarbonimidoyl]benzonitrile
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4-(1-phenylethenyl)benzonitrile
CID 11977035
4-[4-(4-cyanophenyl)phenyl]benzoic acid
CID 102170624
4-cyanobenzoyl bromide
CID 22321969
4-[2-(N-methylanilino)acetyl]benzonitrile
CID 43227448
(14N)benzonitrile
CID 102268532
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-cyanobenzoate
CID 8018161
N-[amino(phenyl)methylidene]-4-cyanobenzamide
CID 100992622
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736

Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl(phenyl)silyl]carbonylbenzonitrile?
The IUPAC name of 4-[dimethyl(phenyl)silyl]carbonylbenzonitrile (CID 14937840) is 4-[dimethyl(phenyl)silyl]carbonylbenzonitrile.
What is the SMILES notation for 4-[dimethyl(phenyl)silyl]carbonylbenzonitrile?
The canonical SMILES for 4-[dimethyl(phenyl)silyl]carbonylbenzonitrile is C[Si](C)(C(=O)c1ccc(C#N)cc1)c1ccccc1.
What is the InChIKey of 4-[dimethyl(phenyl)silyl]carbonylbenzonitrile?
The InChIKey is ANBYHIFOCCPYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOSi/c1-19(2,15-6-4-3-5-7-15)16(18)14-10-8-13(12-17)9-11-14/h3-11H,1-2H3.
What are the key properties of 4-[dimethyl(phenyl)silyl]carbonylbenzonitrile?
4-[dimethyl(phenyl)silyl]carbonylbenzonitrile has a molecular weight of 265.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl(phenyl)silyl]carbonylbenzonitrile is sourced from PubChem (CID 14937840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).