CID 168893422

C5H8NOSn — CID 168893422

IUPAC—
SMILESC=C(C)/N=C(\[Sn])OC
InChIInChI=1S/C5H8NO.Sn/c1-5(2)6-4-7-3;/h1H2,2-3H3;
InChIKeyFVUQPGISEXNPEF-UHFFFAOYSA-N
MW216.84 g/mol
LogP0.69
Rot. Bonds1

About CID 168893422

CID 168893422 (PubChem CID 168893422) has the molecular formula C5H8NOSn and a molecular weight of 216.84 g/mol.

Molecular Properties

Compound NameCID 168893422
PubChem CID168893422
Molecular FormulaC5H8NOSn
Molecular Weight216.84 g/mol
Exact Mass217.96
IUPAC Name—
SMILESC=C(C)/N=C(\[Sn])OC
InChIInChI=1S/C5H8NO.Sn/c1-5(2)6-4-7-3;/h1H2,2-3H3;
InChIKeyFVUQPGISEXNPEF-UHFFFAOYSA-N
XLogP0.69
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.84
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 168893422?
The IUPAC name of CID 168893422 (CID 168893422) is not available.
What is the SMILES notation for CID 168893422?
The canonical SMILES for CID 168893422 is C=C(C)/N=C(\[Sn])OC.
What is the InChIKey of CID 168893422?
The InChIKey is FVUQPGISEXNPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NO.Sn/c1-5(2)6-4-7-3;/h1H2,2-3H3;.
What are the key properties of CID 168893422?
CID 168893422 has a molecular weight of 216.84 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168893422 is sourced from PubChem (CID 168893422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).