CID 66849130

C11H13NO4Si — CID 66849130

IUPAC—
SMILESCOc1ccccc1OCC1CNC(=O)O1.[Si]
InChIInChI=1S/C11H13NO4.Si/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8;/h2-5,8H,6-7H2,1H3,(H,12,13);
InChIKeyXMIIYNIDMUTTPH-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.80
Rot. Bonds4

About CID 66849130

CID 66849130 (PubChem CID 66849130) has the molecular formula C11H13NO4Si and a molecular weight of 251.31 g/mol.

Molecular Properties

Compound NameCID 66849130
PubChem CID66849130
Molecular FormulaC11H13NO4Si
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name—
SMILESCOc1ccccc1OCC1CNC(=O)O1.[Si]
InChIInChI=1S/C11H13NO4.Si/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8;/h2-5,8H,6-7H2,1H3,(H,12,13);
InChIKeyXMIIYNIDMUTTPH-UHFFFAOYSA-N
XLogP0.80
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 66849130?
The IUPAC name of CID 66849130 (CID 66849130) is not available.
What is the SMILES notation for CID 66849130?
The canonical SMILES for CID 66849130 is COc1ccccc1OCC1CNC(=O)O1.[Si].
What is the InChIKey of CID 66849130?
The InChIKey is XMIIYNIDMUTTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4.Si/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8;/h2-5,8H,6-7H2,1H3,(H,12,13);.
What are the key properties of CID 66849130?
CID 66849130 has a molecular weight of 251.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66849130 is sourced from PubChem (CID 66849130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).