2-[2-[dimethyl(phenyl)silyl]-1H-indol-3-yl]acetonitrile

C18H18N2Si — CID 46868534

IUPAC2-[2-[dimethyl(phenyl)silyl]-1H-indol-3-yl]acetonitrile
SMILESC[Si](C)(c1ccccc1)c1[nH]c2ccccc2c1CC#N
InChIInChI=1S/C18H18N2Si/c1-21(2,14-8-4-3-5-9-14)18-16(12-13-19)15-10-6-7-11-17(15)20-18/h3-11,20H,12H2,1-2H3
InChIKeySWIVYUCIIHYKID-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.06
Rot. Bonds3

About 2-[2-[dimethyl(phenyl)silyl]-1H-indol-3-yl]acetonitrile

2-[2-[dimethyl(phenyl)silyl]-1H-indol-3-yl]acetonitrile (PubChem CID 46868534) has the molecular formula C18H18N2Si and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-[2-[dimethyl(phenyl)silyl]-1H-indol-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[dimethyl(phenyl)silyl]-1H-indol-3-yl]acetonitrile
PubChem CID46868534
Molecular FormulaC18H18N2Si
Molecular Weight290.44 g/mol
Exact Mass290.12
IUPAC Name2-[2-[dimethyl(phenyl)silyl]-1H-indol-3-yl]acetonitrile
SMILESC[Si](C)(c1ccccc1)c1[nH]c2ccccc2c1CC#N
InChIInChI=1S/C18H18N2Si/c1-21(2,14-8-4-3-5-9-14)18-16(12-13-19)15-10-6-7-11-17(15)20-18/h3-11,20H,12H2,1-2H3
InChIKeySWIVYUCIIHYKID-UHFFFAOYSA-N
XLogP3.06
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenylsulfanyl-1H-indol-3-yl)acetonitrile
CID 177414346
2-[2-(trifluoromethyl)-1H-indol-3-yl]acetonitrile
CID 15271069
2-[2-(2-aminophenyl)-1H-indol-3-yl]acetonitrile
CID 10879441
2-[2-[(E)-4-phenylbut-1-enyl]-1H-indol-3-yl]acetonitrile
CID 11150357
3-ethyl-1H-indole-2-carbonitrile
CID 89048363
3-methyl-1H-indole-2-carbonitrile
CID 593371
2,3-diethyl-1H-indole;hydrate
CID 70606554
2-(4-bromo-2-methyl-1H-indol-3-yl)acetonitrile
CID 66738785
3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile
CID 115231100
bis(9H-carbazole);propane
CID 90987002
3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile
CID 115231231
[2-(2-methylphenyl)-1H-indol-3-yl]methanamine
CID 22689271

Frequently Asked Questions

What is the IUPAC name of 2-[2-[dimethyl(phenyl)silyl]-1H-indol-3-yl]acetonitrile?
The IUPAC name of 2-[2-[dimethyl(phenyl)silyl]-1H-indol-3-yl]acetonitrile (CID 46868534) is 2-[2-[dimethyl(phenyl)silyl]-1H-indol-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-[dimethyl(phenyl)silyl]-1H-indol-3-yl]acetonitrile?
The canonical SMILES for 2-[2-[dimethyl(phenyl)silyl]-1H-indol-3-yl]acetonitrile is C[Si](C)(c1ccccc1)c1[nH]c2ccccc2c1CC#N.
What is the InChIKey of 2-[2-[dimethyl(phenyl)silyl]-1H-indol-3-yl]acetonitrile?
The InChIKey is SWIVYUCIIHYKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2Si/c1-21(2,14-8-4-3-5-9-14)18-16(12-13-19)15-10-6-7-11-17(15)20-18/h3-11,20H,12H2,1-2H3.
What are the key properties of 2-[2-[dimethyl(phenyl)silyl]-1H-indol-3-yl]acetonitrile?
2-[2-[dimethyl(phenyl)silyl]-1H-indol-3-yl]acetonitrile has a molecular weight of 290.44 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[dimethyl(phenyl)silyl]-1H-indol-3-yl]acetonitrile is sourced from PubChem (CID 46868534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).