4-phenylselanylazetidin-2-one

C9H9NOSe — CID 3278057

IUPAC4-phenylselanylazetidin-2-one
SMILESO=C1CC([Se]c2ccccc2)N1
InChIInChI=1S/C9H9NOSe/c11-8-6-9(10-8)12-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
InChIKeyMMATWKPFMGFZTO-UHFFFAOYSA-N
MW226.14 g/mol
LogP-0.14
Rot. Bonds2

About 4-phenylselanylazetidin-2-one

4-phenylselanylazetidin-2-one (PubChem CID 3278057) has the molecular formula C9H9NOSe and a molecular weight of 226.14 g/mol. Its IUPAC name is 4-phenylselanylazetidin-2-one.

Molecular Properties

Compound Name4-phenylselanylazetidin-2-one
PubChem CID3278057
Molecular FormulaC9H9NOSe
Molecular Weight226.14 g/mol
Exact Mass226.98
IUPAC Name4-phenylselanylazetidin-2-one
SMILESO=C1CC([Se]c2ccccc2)N1
InChIInChI=1S/C9H9NOSe/c11-8-6-9(10-8)12-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
InChIKeyMMATWKPFMGFZTO-UHFFFAOYSA-N
XLogP-0.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.14
LogP ≤ 5-0.14
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 4-phenylselanylazetidin-2-one?
The IUPAC name of 4-phenylselanylazetidin-2-one (CID 3278057) is 4-phenylselanylazetidin-2-one.
What is the SMILES notation for 4-phenylselanylazetidin-2-one?
The canonical SMILES for 4-phenylselanylazetidin-2-one is O=C1CC([Se]c2ccccc2)N1.
What is the InChIKey of 4-phenylselanylazetidin-2-one?
The InChIKey is MMATWKPFMGFZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOSe/c11-8-6-9(10-8)12-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11).
What are the key properties of 4-phenylselanylazetidin-2-one?
4-phenylselanylazetidin-2-one has a molecular weight of 226.14 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylselanylazetidin-2-one is sourced from PubChem (CID 3278057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).