CID 134970161

C11H12NO2Si — CID 134970161

IUPAC—
SMILESC/C(=C/CC(=O)O[Si])Nc1ccccc1
InChIInChI=1S/C11H12NO2Si/c1-9(7-8-11(13)14-15)12-10-5-3-2-4-6-10/h2-7,12H,8H2,1H3/b9-7-
InChIKeyYWAJYDONQKJEAM-CLFYSBASSA-N
MW218.31 g/mol
LogP2.02
Rot. Bonds4

About CID 134970161

CID 134970161 (PubChem CID 134970161) has the molecular formula C11H12NO2Si and a molecular weight of 218.31 g/mol.

Molecular Properties

Compound NameCID 134970161
PubChem CID134970161
Molecular FormulaC11H12NO2Si
Molecular Weight218.31 g/mol
Exact Mass218.06
IUPAC Name—
SMILESC/C(=C/CC(=O)O[Si])Nc1ccccc1
InChIInChI=1S/C11H12NO2Si/c1-9(7-8-11(13)14-15)12-10-5-3-2-4-6-10/h2-7,12H,8H2,1H3/b9-7-
InChIKeyYWAJYDONQKJEAM-CLFYSBASSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
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 134970161?
The IUPAC name of CID 134970161 (CID 134970161) is not available.
What is the SMILES notation for CID 134970161?
The canonical SMILES for CID 134970161 is C/C(=C/CC(=O)O[Si])Nc1ccccc1.
What is the InChIKey of CID 134970161?
The InChIKey is YWAJYDONQKJEAM-CLFYSBASSA-N. The full InChI is InChI=1S/C11H12NO2Si/c1-9(7-8-11(13)14-15)12-10-5-3-2-4-6-10/h2-7,12H,8H2,1H3/b9-7-.
What are the key properties of CID 134970161?
CID 134970161 has a molecular weight of 218.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134970161 is sourced from PubChem (CID 134970161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).