CID 68728345

C9H11NSi — CID 68728345

IUPAC—
SMILESCC=C(C)[Si]c1ccccn1
InChIInChI=1S/C9H11NSi/c1-3-8(2)11-9-6-4-5-7-10-9/h3-7H,1-2H3
InChIKeyCQOZKNKCDUJDFO-UHFFFAOYSA-N
MW161.28 g/mol
LogP1.33
Rot. Bonds2

About CID 68728345

CID 68728345 (PubChem CID 68728345) has the molecular formula C9H11NSi and a molecular weight of 161.28 g/mol.

Molecular Properties

Compound NameCID 68728345
PubChem CID68728345
Molecular FormulaC9H11NSi
Molecular Weight161.28 g/mol
Exact Mass161.07
IUPAC Name—
SMILESCC=C(C)[Si]c1ccccn1
InChIInChI=1S/C9H11NSi/c1-3-8(2)11-9-6-4-5-7-10-9/h3-7H,1-2H3
InChIKeyCQOZKNKCDUJDFO-UHFFFAOYSA-N
XLogP1.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.28
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 68728345 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 68728345?
The IUPAC name of CID 68728345 (CID 68728345) is not available.
What is the SMILES notation for CID 68728345?
The canonical SMILES for CID 68728345 is CC=C(C)[Si]c1ccccn1.
What is the InChIKey of CID 68728345?
The InChIKey is CQOZKNKCDUJDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NSi/c1-3-8(2)11-9-6-4-5-7-10-9/h3-7H,1-2H3.
What are the key properties of CID 68728345?
CID 68728345 has a molecular weight of 161.28 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68728345 is sourced from PubChem (CID 68728345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).