CID 53445132

C5H10NOSSe — CID 53445132

IUPAC—
SMILESCSCCC(N)C(=O)[Se]
InChIInChI=1S/C5H10NOSSe/c1-8-3-2-4(6)5(7)9/h4H,2-3,6H2,1H3
InChIKeyKZGCCOWGSPNHKO-UHFFFAOYSA-N
MW211.17 g/mol
LogP-0.24
Rot. Bonds4

About CID 53445132

CID 53445132 (PubChem CID 53445132) has the molecular formula C5H10NOSSe and a molecular weight of 211.17 g/mol.

Molecular Properties

Compound NameCID 53445132
PubChem CID53445132
Molecular FormulaC5H10NOSSe
Molecular Weight211.17 g/mol
Exact Mass211.96
IUPAC Name—
SMILESCSCCC(N)C(=O)[Se]
InChIInChI=1S/C5H10NOSSe/c1-8-3-2-4(6)5(7)9/h4H,2-3,6H2,1H3
InChIKeyKZGCCOWGSPNHKO-UHFFFAOYSA-N
XLogP-0.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 53445132?
The IUPAC name of CID 53445132 (CID 53445132) is not available.
What is the SMILES notation for CID 53445132?
The canonical SMILES for CID 53445132 is CSCCC(N)C(=O)[Se].
What is the InChIKey of CID 53445132?
The InChIKey is KZGCCOWGSPNHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NOSSe/c1-8-3-2-4(6)5(7)9/h4H,2-3,6H2,1H3.
What are the key properties of CID 53445132?
CID 53445132 has a molecular weight of 211.17 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53445132 is sourced from PubChem (CID 53445132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).