5-trimethylsilyloxy-6,7-dihydrocyclopenta[c]pyridine-5-carbonitrile

C12H16N2OSi — CID 140695751

IUPAC5-trimethylsilyloxy-6,7-dihydrocyclopenta[c]pyridine-5-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCc2cnccc21
InChIInChI=1S/C12H16N2OSi/c1-16(2,3)15-12(9-13)6-4-10-8-14-7-5-11(10)12/h5,7-8H,4,6H2,1-3H3
InChIKeyOZMSOJSZNIBNJP-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.60
Rot. Bonds2

About 5-trimethylsilyloxy-6,7-dihydrocyclopenta[c]pyridine-5-carbonitrile

5-trimethylsilyloxy-6,7-dihydrocyclopenta[c]pyridine-5-carbonitrile (PubChem CID 140695751) has the molecular formula C12H16N2OSi and a molecular weight of 232.36 g/mol. Its IUPAC name is 5-trimethylsilyloxy-6,7-dihydrocyclopenta[c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name5-trimethylsilyloxy-6,7-dihydrocyclopenta[c]pyridine-5-carbonitrile
PubChem CID140695751
Molecular FormulaC12H16N2OSi
Molecular Weight232.36 g/mol
Exact Mass232.10
IUPAC Name5-trimethylsilyloxy-6,7-dihydrocyclopenta[c]pyridine-5-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCc2cnccc21
InChIInChI=1S/C12H16N2OSi/c1-16(2,3)15-12(9-13)6-4-10-8-14-7-5-11(10)12/h5,7-8H,4,6H2,1-3H3
InChIKeyOZMSOJSZNIBNJP-UHFFFAOYSA-N
XLogP2.60
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-trimethylsilyloxy-6,7-dihydrocyclopenta[c]pyridine-5-carbonitrile?
The IUPAC name of 5-trimethylsilyloxy-6,7-dihydrocyclopenta[c]pyridine-5-carbonitrile (CID 140695751) is 5-trimethylsilyloxy-6,7-dihydrocyclopenta[c]pyridine-5-carbonitrile.
What is the SMILES notation for 5-trimethylsilyloxy-6,7-dihydrocyclopenta[c]pyridine-5-carbonitrile?
The canonical SMILES for 5-trimethylsilyloxy-6,7-dihydrocyclopenta[c]pyridine-5-carbonitrile is C[Si](C)(C)OC1(C#N)CCc2cnccc21.
What is the InChIKey of 5-trimethylsilyloxy-6,7-dihydrocyclopenta[c]pyridine-5-carbonitrile?
The InChIKey is OZMSOJSZNIBNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OSi/c1-16(2,3)15-12(9-13)6-4-10-8-14-7-5-11(10)12/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 5-trimethylsilyloxy-6,7-dihydrocyclopenta[c]pyridine-5-carbonitrile?
5-trimethylsilyloxy-6,7-dihydrocyclopenta[c]pyridine-5-carbonitrile has a molecular weight of 232.36 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trimethylsilyloxy-6,7-dihydrocyclopenta[c]pyridine-5-carbonitrile is sourced from PubChem (CID 140695751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).