CID 176887458

C13H16N2O2Si — CID 176887458

IUPAC—
SMILESCO[Si]C(=O)N(c1ccc(CC#N)cc1)C(C)C
InChIInChI=1S/C13H16N2O2Si/c1-10(2)15(13(16)18-17-3)12-6-4-11(5-7-12)8-9-14/h4-7,10H,8H2,1-3H3
InChIKeyQJYWDWWMMQDDBN-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.35
Rot. Bonds5

About CID 176887458

CID 176887458 (PubChem CID 176887458) has the molecular formula C13H16N2O2Si and a molecular weight of 260.37 g/mol.

Molecular Properties

Compound NameCID 176887458
PubChem CID176887458
Molecular FormulaC13H16N2O2Si
Molecular Weight260.37 g/mol
Exact Mass260.10
IUPAC Name—
SMILESCO[Si]C(=O)N(c1ccc(CC#N)cc1)C(C)C
InChIInChI=1S/C13H16N2O2Si/c1-10(2)15(13(16)18-17-3)12-6-4-11(5-7-12)8-9-14/h4-7,10H,8H2,1-3H3
InChIKeyQJYWDWWMMQDDBN-UHFFFAOYSA-N
XLogP2.35
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.35
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 CID 176887458?
The IUPAC name of CID 176887458 (CID 176887458) is not available.
What is the SMILES notation for CID 176887458?
The canonical SMILES for CID 176887458 is CO[Si]C(=O)N(c1ccc(CC#N)cc1)C(C)C.
What is the InChIKey of CID 176887458?
The InChIKey is QJYWDWWMMQDDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2Si/c1-10(2)15(13(16)18-17-3)12-6-4-11(5-7-12)8-9-14/h4-7,10H,8H2,1-3H3.
What are the key properties of CID 176887458?
CID 176887458 has a molecular weight of 260.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176887458 is sourced from PubChem (CID 176887458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).