2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile

C12H16ClNSi — CID 11031921

IUPAC2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile
SMILESC[Si](C)(C)CC(C#N)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNSi/c1-15(2,3)9-11(8-14)10-5-4-6-12(13)7-10/h4-7,11H,9H2,1-3H3
InChIKeyOCKNXMDDIBSVIA-UHFFFAOYSA-N
MW237.81 g/mol
LogP4.29
Rot. Bonds3

About 2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile

2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile (PubChem CID 11031921) has the molecular formula C12H16ClNSi and a molecular weight of 237.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile
PubChem CID11031921
Molecular FormulaC12H16ClNSi
Molecular Weight237.81 g/mol
Exact Mass237.07
IUPAC Name2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile
SMILESC[Si](C)(C)CC(C#N)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNSi/c1-15(2,3)9-11(8-14)10-5-4-6-12(13)7-10/h4-7,11H,9H2,1-3H3
InChIKeyOCKNXMDDIBSVIA-UHFFFAOYSA-N
XLogP4.29
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.81
LogP ≤ 54.29
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

(2R)-2-(3-chlorophenyl)butanenitrile
CID 175457455
2-(3-chlorophenyl)pent-4-enenitrile
CID 14326072
(2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile
CID 125483548
2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile
CID 82085002
[(1R)-1-(3-chlorophenyl)ethyl]cyanamide
CID 81372417
(2S)-2-(3-chlorophenyl)-2-(methylamino)acetonitrile
CID 28699729
3-(5-bromo-3-pyridinyl)-2-(3-chlorophenyl)propanenitrile
CID 153089826
[(3-chlorophenyl)-cyanomethyl]azanium chloride
CID 11206472
2-(3-chlorophenyl)-3-methylhexanenitrile
CID 107886154
2-(3-chlorophenyl)-4-(2-methylphenoxy)butanenitrile
CID 82137183
2-(3-chlorophenyl)-3-piperazin-1-ylpropanenitrile
CID 82511750
3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile
CID 64537162

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile?
The IUPAC name of 2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile (CID 11031921) is 2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile.
What is the SMILES notation for 2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile?
The canonical SMILES for 2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile is C[Si](C)(C)CC(C#N)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile?
The InChIKey is OCKNXMDDIBSVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNSi/c1-15(2,3)9-11(8-14)10-5-4-6-12(13)7-10/h4-7,11H,9H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile?
2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile has a molecular weight of 237.81 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile is sourced from PubChem (CID 11031921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).