CID 166544725

C7H14N2O3Si — CID 166544725

IUPAC
SMILESCOC(OC)[Si]CN1CCNC1=O
InChIInChI=1S/C7H14N2O3Si/c1-11-7(12-2)13-5-9-4-3-8-6(9)10/h7H,3-5H2,1-2H3,(H,8,10)
InChIKeyXAGQLTSWMIBSHP-UHFFFAOYSA-N
MW202.29 g/mol
LogP-0.75
Rot. Bonds5

About CID 166544725

CID 166544725 (PubChem CID 166544725) has the molecular formula C7H14N2O3Si and a molecular weight of 202.29 g/mol.

Molecular Properties

Compound NameCID 166544725
PubChem CID166544725
Molecular FormulaC7H14N2O3Si
Molecular Weight202.29 g/mol
Exact Mass202.08
IUPAC Name
SMILESCOC(OC)[Si]CN1CCNC1=O
InChIInChI=1S/C7H14N2O3Si/c1-11-7(12-2)13-5-9-4-3-8-6(9)10/h7H,3-5H2,1-2H3,(H,8,10)
InChIKeyXAGQLTSWMIBSHP-UHFFFAOYSA-N
XLogP-0.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 5-0.75
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 166544725?
The IUPAC name of CID 166544725 (CID 166544725) is not available.
What is the SMILES notation for CID 166544725?
The canonical SMILES for CID 166544725 is COC(OC)[Si]CN1CCNC1=O.
What is the InChIKey of CID 166544725?
The InChIKey is XAGQLTSWMIBSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3Si/c1-11-7(12-2)13-5-9-4-3-8-6(9)10/h7H,3-5H2,1-2H3,(H,8,10).
What are the key properties of CID 166544725?
CID 166544725 has a molecular weight of 202.29 g/mol, XLogP of -0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166544725 is sourced from PubChem (CID 166544725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).