CID 18506062

C5H6NSi — CID 18506062

IUPAC—
SMILES[Si]NC1=CC=CC1
InChIInChI=1S/C5H6NSi/c7-6-5-3-1-2-4-5/h1-3,6H,4H2
InChIKeyBOMBIGFPYMNRCA-UHFFFAOYSA-N
MW108.20 g/mol
LogP0.50
Rot. Bonds1

About CID 18506062

CID 18506062 (PubChem CID 18506062) has the molecular formula C5H6NSi and a molecular weight of 108.20 g/mol.

Molecular Properties

Compound NameCID 18506062
PubChem CID18506062
Molecular FormulaC5H6NSi
Molecular Weight108.20 g/mol
Exact Mass108.03
IUPAC Name—
SMILES[Si]NC1=CC=CC1
InChIInChI=1S/C5H6NSi/c7-6-5-3-1-2-4-5/h1-3,6H,4H2
InChIKeyBOMBIGFPYMNRCA-UHFFFAOYSA-N
XLogP0.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 CID 18506062?
The IUPAC name of CID 18506062 (CID 18506062) is not available.
What is the SMILES notation for CID 18506062?
The canonical SMILES for CID 18506062 is [Si]NC1=CC=CC1.
What is the InChIKey of CID 18506062?
The InChIKey is BOMBIGFPYMNRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6NSi/c7-6-5-3-1-2-4-5/h1-3,6H,4H2.
What are the key properties of CID 18506062?
CID 18506062 has a molecular weight of 108.20 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18506062 is sourced from PubChem (CID 18506062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).