1,3-selenazolidine

C3H7NSe — CID 23166584

IUPAC1,3-selenazolidine
SMILESC1C[Se]CN1
InChIInChI=1S/C3H7NSe/c1-2-5-3-4-1/h4H,1-3H2
InChIKeyIPVORJLWOBDFGD-UHFFFAOYSA-N
MW136.06 g/mol
LogP-0.33
Rot. Bonds

About 1,3-selenazolidine

1,3-selenazolidine (PubChem CID 23166584) has the molecular formula C3H7NSe and a molecular weight of 136.06 g/mol. Its IUPAC name is 1,3-selenazolidine.

Molecular Properties

Compound Name1,3-selenazolidine
PubChem CID23166584
Molecular FormulaC3H7NSe
Molecular Weight136.06 g/mol
Exact Mass136.97
IUPAC Name1,3-selenazolidine
SMILESC1C[Se]CN1
InChIInChI=1S/C3H7NSe/c1-2-5-3-4-1/h4H,1-3H2
InChIKeyIPVORJLWOBDFGD-UHFFFAOYSA-N
XLogP-0.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.06
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,3-selenazolidine?
The IUPAC name of 1,3-selenazolidine (CID 23166584) is 1,3-selenazolidine.
What is the SMILES notation for 1,3-selenazolidine?
The canonical SMILES for 1,3-selenazolidine is C1C[Se]CN1.
What is the InChIKey of 1,3-selenazolidine?
The InChIKey is IPVORJLWOBDFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NSe/c1-2-5-3-4-1/h4H,1-3H2.
What are the key properties of 1,3-selenazolidine?
1,3-selenazolidine has a molecular weight of 136.06 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-selenazolidine is sourced from PubChem (CID 23166584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).