2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile

C13H17NOSi — CID 58306284

IUPAC2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)Cc2ccccc2C1
InChIInChI=1S/C13H17NOSi/c1-16(2,3)15-13(10-14)8-11-6-4-5-7-12(11)9-13/h4-7H,8-9H2,1-3H3
InChIKeyKVSVRIIZOHMPAQ-UHFFFAOYSA-N
MW231.37 g/mol
LogP2.90
Rot. Bonds2

About 2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile

2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile (PubChem CID 58306284) has the molecular formula C13H17NOSi and a molecular weight of 231.37 g/mol. Its IUPAC name is 2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile
PubChem CID58306284
Molecular FormulaC13H17NOSi
Molecular Weight231.37 g/mol
Exact Mass231.11
IUPAC Name2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)Cc2ccccc2C1
InChIInChI=1S/C13H17NOSi/c1-16(2,3)15-13(10-14)8-11-6-4-5-7-12(11)9-13/h4-7H,8-9H2,1-3H3
InChIKeyKVSVRIIZOHMPAQ-UHFFFAOYSA-N
XLogP2.90
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.37
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

2-Hydroxy-2-indanecarbonitrile
CID 281490
(1S)-6-(trifluoromethyl)-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
CID 134968096
2-Phenyl-2-trimethylsilyloxypropanenitrile
CID 9899312
9H-Fluorene-9-carbonitrile, 9-[(trimethylsilyl)oxy]-
CID 10826550
(2R)-2-phenyl-2-trimethylsilyloxypropanenitrile
CID 11183590
2-Methyl-4-phenyl-2-trimethylsilyloxybutanenitrile
CID 11528892
2-(2-Methylphenyl)-2-trimethylsilyloxypropanenitrile
CID 11608333
1-[(Trimethylsilyl)oxy]-2,3-dihydro-1H-indene-1-carbonitrile
CID 14822594
5-trimethylsilyloxyspiro[8,9-dihydro-7H-benzo[7]annulene-6,1'-cyclopentane]-5-carbonitrile
CID 402685
5,6-Difluoro-2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile
CID 123233785
CID 144865108
CID 144865108
7-Fluoro-5-methyl-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
CID 173973685

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile (CID 58306284) is 2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile is C[Si](C)(C)OC1(C#N)Cc2ccccc2C1.
What is the InChIKey of 2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile?
The InChIKey is KVSVRIIZOHMPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOSi/c1-16(2,3)15-13(10-14)8-11-6-4-5-7-12(11)9-13/h4-7H,8-9H2,1-3H3.
What are the key properties of 2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile?
2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile has a molecular weight of 231.37 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 58306284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).