CID 123865234

C6H8NO3Si — CID 123865234

IUPAC—
SMILESO=C1C=CC(=O)N1CCO[SiH2]
InChIInChI=1S/C6H8NO3Si/c8-5-1-2-6(9)7(5)3-4-10-11/h1-2H,3-4,11H2
InChIKeyJZZJQYOFOSJKFL-UHFFFAOYSA-N
MW170.22 g/mol
LogP-1.52
Rot. Bonds3

About CID 123865234

CID 123865234 (PubChem CID 123865234) has the molecular formula C6H8NO3Si and a molecular weight of 170.22 g/mol.

Molecular Properties

Compound NameCID 123865234
PubChem CID123865234
Molecular FormulaC6H8NO3Si
Molecular Weight170.22 g/mol
Exact Mass170.03
IUPAC Name—
SMILESO=C1C=CC(=O)N1CCO[SiH2]
InChIInChI=1S/C6H8NO3Si/c8-5-1-2-6(9)7(5)3-4-10-11/h1-2H,3-4,11H2
InChIKeyJZZJQYOFOSJKFL-UHFFFAOYSA-N
XLogP-1.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 123865234?
The IUPAC name of CID 123865234 (CID 123865234) is not available.
What is the SMILES notation for CID 123865234?
The canonical SMILES for CID 123865234 is O=C1C=CC(=O)N1CCO[SiH2].
What is the InChIKey of CID 123865234?
The InChIKey is JZZJQYOFOSJKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO3Si/c8-5-1-2-6(9)7(5)3-4-10-11/h1-2H,3-4,11H2.
What are the key properties of CID 123865234?
CID 123865234 has a molecular weight of 170.22 g/mol, XLogP of -1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123865234 is sourced from PubChem (CID 123865234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).