CID 70602361

C11H15NOSi — CID 70602361

IUPAC
SMILESCNC(=O)C(C)(C)[Si]c1ccccc1
InChIInChI=1S/C11H15NOSi/c1-11(2,10(13)12-3)14-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)
InChIKeyVXAQRCCPBYDMND-UHFFFAOYSA-N
MW205.33 g/mol
LogP0.96
Rot. Bonds3

About CID 70602361

CID 70602361 (PubChem CID 70602361) has the molecular formula C11H15NOSi and a molecular weight of 205.33 g/mol.

Molecular Properties

Compound NameCID 70602361
PubChem CID70602361
Molecular FormulaC11H15NOSi
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name
SMILESCNC(=O)C(C)(C)[Si]c1ccccc1
InChIInChI=1S/C11H15NOSi/c1-11(2,10(13)12-3)14-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)
InChIKeyVXAQRCCPBYDMND-UHFFFAOYSA-N
XLogP0.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 50.96
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 70602361?
The IUPAC name of CID 70602361 (CID 70602361) is not available.
What is the SMILES notation for CID 70602361?
The canonical SMILES for CID 70602361 is CNC(=O)C(C)(C)[Si]c1ccccc1.
What is the InChIKey of CID 70602361?
The InChIKey is VXAQRCCPBYDMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOSi/c1-11(2,10(13)12-3)14-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13).
What are the key properties of CID 70602361?
CID 70602361 has a molecular weight of 205.33 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70602361 is sourced from PubChem (CID 70602361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).