CID 87755042

C5H10NOSSe — CID 87755042

IUPAC—
SMILESCSCC[C@H](N)C(=O)[Se]
InChIInChI=1S/C5H10NOSSe/c1-8-3-2-4(6)5(7)9/h4H,2-3,6H2,1H3/t4-/m0/s1
InChIKeyKZGCCOWGSPNHKO-BYPYZUCNSA-N
MW211.17 g/mol
LogP-0.24
Rot. Bonds4

About CID 87755042

CID 87755042 (PubChem CID 87755042) has the molecular formula C5H10NOSSe and a molecular weight of 211.17 g/mol.

Molecular Properties

Compound NameCID 87755042
PubChem CID87755042
Molecular FormulaC5H10NOSSe
Molecular Weight211.17 g/mol
Exact Mass211.96
IUPAC Name—
SMILESCSCC[C@H](N)C(=O)[Se]
InChIInChI=1S/C5H10NOSSe/c1-8-3-2-4(6)5(7)9/h4H,2-3,6H2,1H3/t4-/m0/s1
InChIKeyKZGCCOWGSPNHKO-BYPYZUCNSA-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 87755042?
The IUPAC name of CID 87755042 (CID 87755042) is not available.
What is the SMILES notation for CID 87755042?
The canonical SMILES for CID 87755042 is CSCC[C@H](N)C(=O)[Se].
What is the InChIKey of CID 87755042?
The InChIKey is KZGCCOWGSPNHKO-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10NOSSe/c1-8-3-2-4(6)5(7)9/h4H,2-3,6H2,1H3/t4-/m0/s1.
What are the key properties of CID 87755042?
CID 87755042 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 87755042 is sourced from PubChem (CID 87755042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).