trimethyl(2-pyrrolo[2,1-a]isoquinolin-3-ylethynyl)silane

C17H17NSi — CID 102089193

IUPACtrimethyl(2-pyrrolo[2,1-a]isoquinolin-3-ylethynyl)silane
SMILESC[Si](C)(C)C#Cc1ccc2c3ccccc3ccn12
InChIInChI=1S/C17H17NSi/c1-19(2,3)13-11-15-8-9-17-16-7-5-4-6-14(16)10-12-18(15)17/h4-10,12H,1-3H3
InChIKeyWMRILJOAVZUFKD-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.32
Rot. Bonds

About trimethyl(2-pyrrolo[2,1-a]isoquinolin-3-ylethynyl)silane

trimethyl(2-pyrrolo[2,1-a]isoquinolin-3-ylethynyl)silane (PubChem CID 102089193) has the molecular formula C17H17NSi and a molecular weight of 263.42 g/mol. Its IUPAC name is trimethyl(2-pyrrolo[2,1-a]isoquinolin-3-ylethynyl)silane.

Molecular Properties

Compound Nametrimethyl(2-pyrrolo[2,1-a]isoquinolin-3-ylethynyl)silane
PubChem CID102089193
Molecular FormulaC17H17NSi
Molecular Weight263.42 g/mol
Exact Mass263.11
IUPAC Nametrimethyl(2-pyrrolo[2,1-a]isoquinolin-3-ylethynyl)silane
SMILESC[Si](C)(C)C#Cc1ccc2c3ccccc3ccn12
InChIInChI=1S/C17H17NSi/c1-19(2,3)13-11-15-8-9-17-16-7-5-4-6-14(16)10-12-18(15)17/h4-10,12H,1-3H3
InChIKeyWMRILJOAVZUFKD-UHFFFAOYSA-N
XLogP4.32
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-indolizin-3-ylethynyl(trimethyl)silane
CID 102089190
pyrrolo[2,1-a]isoquinoline-3-carbaldehyde
CID 19694938
trimethyl-[2-[1-methyl-5-(2-trimethylsilylethynyl)pyrrol-2-yl]ethynyl]silane
CID 132595845
trimethyl(2-phenanthren-2-ylethynyl)silane
CID 131953552
2-benzyl-3-(2-trimethylsilylethynyl)isoquinolin-1-one
CID 66883215
3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline
CID 58517919
pyrimido[6,1-a]isoquinolin-4-one;hydrochloride
CID 19881213
[1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol
CID 15355674
trimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane
CID 102311843
10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile
CID 86230221
2-chrysen-5-yl(1,2-13C2)ethynyl(trimethyl)silane
CID 66552882
benzimidazolo[2,1-a]isoquinoline;ethane
CID 156745272

Frequently Asked Questions

What is the IUPAC name of trimethyl(2-pyrrolo[2,1-a]isoquinolin-3-ylethynyl)silane?
The IUPAC name of trimethyl(2-pyrrolo[2,1-a]isoquinolin-3-ylethynyl)silane (CID 102089193) is trimethyl(2-pyrrolo[2,1-a]isoquinolin-3-ylethynyl)silane.
What is the SMILES notation for trimethyl(2-pyrrolo[2,1-a]isoquinolin-3-ylethynyl)silane?
The canonical SMILES for trimethyl(2-pyrrolo[2,1-a]isoquinolin-3-ylethynyl)silane is C[Si](C)(C)C#Cc1ccc2c3ccccc3ccn12.
What is the InChIKey of trimethyl(2-pyrrolo[2,1-a]isoquinolin-3-ylethynyl)silane?
The InChIKey is WMRILJOAVZUFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NSi/c1-19(2,3)13-11-15-8-9-17-16-7-5-4-6-14(16)10-12-18(15)17/h4-10,12H,1-3H3.
What are the key properties of trimethyl(2-pyrrolo[2,1-a]isoquinolin-3-ylethynyl)silane?
trimethyl(2-pyrrolo[2,1-a]isoquinolin-3-ylethynyl)silane has a molecular weight of 263.42 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-pyrrolo[2,1-a]isoquinolin-3-ylethynyl)silane is sourced from PubChem (CID 102089193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).