1-trimethylsilyloxyindole-3-carbonitrile

C12H14N2OSi — CID 134907064

IUPAC1-trimethylsilyloxyindole-3-carbonitrile
SMILESC[Si](C)(C)On1cc(C#N)c2ccccc21
InChIInChI=1S/C12H14N2OSi/c1-16(2,3)15-14-9-10(8-13)11-6-4-5-7-12(11)14/h4-7,9H,1-3H3
InChIKeyLFGFWAGRIHOLOW-UHFFFAOYSA-N
MW230.34 g/mol
LogP2.78
Rot. Bonds2

About 1-trimethylsilyloxyindole-3-carbonitrile

1-trimethylsilyloxyindole-3-carbonitrile (PubChem CID 134907064) has the molecular formula C12H14N2OSi and a molecular weight of 230.34 g/mol. Its IUPAC name is 1-trimethylsilyloxyindole-3-carbonitrile.

Molecular Properties

Compound Name1-trimethylsilyloxyindole-3-carbonitrile
PubChem CID134907064
Molecular FormulaC12H14N2OSi
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name1-trimethylsilyloxyindole-3-carbonitrile
SMILESC[Si](C)(C)On1cc(C#N)c2ccccc21
InChIInChI=1S/C12H14N2OSi/c1-16(2,3)15-14-9-10(8-13)11-6-4-5-7-12(11)14/h4-7,9H,1-3H3
InChIKeyLFGFWAGRIHOLOW-UHFFFAOYSA-N
XLogP2.78
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropylindole-3-carbonitrile
CID 118990005
1-[(2-methylphenyl)methyl]indole-3-carbonitrile
CID 82086172
1-[(4-methylphenyl)methyl]indole-3-carbonitrile
CID 82086176
1-(4-methylbenzoyl)indole-3-carbonitrile
CID 14978069
ethyl (2R)-2-(3-cyanoindol-1-yl)propanoate
CID 134861121
1-(3-bromoprop-1-en-2-yl)indole-3-carbonitrile
CID 121015352
1-(2,2,2-trifluoroacetyl)indole-3-carbonitrile
CID 91689409
1-(4-chlorobutyl)indole-3-carbonitrile
CID 10331529
1-(4-chloro-3-pyridinyl)indole-3-carbonitrile
CID 129239980
1-(4-ethoxybenzoyl)indole-3-carbonitrile
CID 91689445
14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene-10,11-dicarbonitrile
CID 121386164
1-[(2,5-dimethylphenyl)methyl]indole-3-carbonitrile
CID 82090203

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilyloxyindole-3-carbonitrile?
The IUPAC name of 1-trimethylsilyloxyindole-3-carbonitrile (CID 134907064) is 1-trimethylsilyloxyindole-3-carbonitrile.
What is the SMILES notation for 1-trimethylsilyloxyindole-3-carbonitrile?
The canonical SMILES for 1-trimethylsilyloxyindole-3-carbonitrile is C[Si](C)(C)On1cc(C#N)c2ccccc21.
What is the InChIKey of 1-trimethylsilyloxyindole-3-carbonitrile?
The InChIKey is LFGFWAGRIHOLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OSi/c1-16(2,3)15-14-9-10(8-13)11-6-4-5-7-12(11)14/h4-7,9H,1-3H3.
What are the key properties of 1-trimethylsilyloxyindole-3-carbonitrile?
1-trimethylsilyloxyindole-3-carbonitrile has a molecular weight of 230.34 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyloxyindole-3-carbonitrile is sourced from PubChem (CID 134907064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).