CID 166544842

C10H20ClN2O2Si — CID 166544842

IUPAC—
SMILESCCCC(CCN1CCNC1=O)[Si](Cl)CO
InChIInChI=1S/C10H20ClN2O2Si/c1-2-3-9(16(11)8-14)4-6-13-7-5-12-10(13)15/h9,14H,2-8H2,1H3,(H,12,15)
InChIKeyJMJXRNQJSNZNKE-UHFFFAOYSA-N
MW263.82 g/mol
LogP1.33
Rot. Bonds7

About CID 166544842

CID 166544842 (PubChem CID 166544842) has the molecular formula C10H20ClN2O2Si and a molecular weight of 263.82 g/mol.

Molecular Properties

Compound NameCID 166544842
PubChem CID166544842
Molecular FormulaC10H20ClN2O2Si
Molecular Weight263.82 g/mol
Exact Mass263.10
IUPAC Name—
SMILESCCCC(CCN1CCNC1=O)[Si](Cl)CO
InChIInChI=1S/C10H20ClN2O2Si/c1-2-3-9(16(11)8-14)4-6-13-7-5-12-10(13)15/h9,14H,2-8H2,1H3,(H,12,15)
InChIKeyJMJXRNQJSNZNKE-UHFFFAOYSA-N
XLogP1.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.82
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 166544842?
The IUPAC name of CID 166544842 (CID 166544842) is not available.
What is the SMILES notation for CID 166544842?
The canonical SMILES for CID 166544842 is CCCC(CCN1CCNC1=O)[Si](Cl)CO.
What is the InChIKey of CID 166544842?
The InChIKey is JMJXRNQJSNZNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClN2O2Si/c1-2-3-9(16(11)8-14)4-6-13-7-5-12-10(13)15/h9,14H,2-8H2,1H3,(H,12,15).
What are the key properties of CID 166544842?
CID 166544842 has a molecular weight of 263.82 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166544842 is sourced from PubChem (CID 166544842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).