CID 166544747

C8H16N2O3Si — CID 166544747

IUPAC—
SMILESCOC(OC)[Si]C(C)N1CCNC1=O
InChIInChI=1S/C8H16N2O3Si/c1-6(14-8(12-2)13-3)10-5-4-9-7(10)11/h6,8H,4-5H2,1-3H3,(H,9,11)
InChIKeyRKNRXVMWLMYNKK-UHFFFAOYSA-N
MW216.31 g/mol
LogP-0.36
Rot. Bonds5

About CID 166544747

CID 166544747 (PubChem CID 166544747) has the molecular formula C8H16N2O3Si and a molecular weight of 216.31 g/mol.

Molecular Properties

Compound NameCID 166544747
PubChem CID166544747
Molecular FormulaC8H16N2O3Si
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name—
SMILESCOC(OC)[Si]C(C)N1CCNC1=O
InChIInChI=1S/C8H16N2O3Si/c1-6(14-8(12-2)13-3)10-5-4-9-7(10)11/h6,8H,4-5H2,1-3H3,(H,9,11)
InChIKeyRKNRXVMWLMYNKK-UHFFFAOYSA-N
XLogP-0.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 166544747?
The IUPAC name of CID 166544747 (CID 166544747) is not available.
What is the SMILES notation for CID 166544747?
The canonical SMILES for CID 166544747 is COC(OC)[Si]C(C)N1CCNC1=O.
What is the InChIKey of CID 166544747?
The InChIKey is RKNRXVMWLMYNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3Si/c1-6(14-8(12-2)13-3)10-5-4-9-7(10)11/h6,8H,4-5H2,1-3H3,(H,9,11).
What are the key properties of CID 166544747?
CID 166544747 has a molecular weight of 216.31 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166544747 is sourced from PubChem (CID 166544747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).