3,3-diphenyloxaziridine

C13H11NO — CID 87219330

IUPAC3,3-diphenyloxaziridine
SMILESc1ccc(C2(c3ccccc3)NO2)cc1
InChIInChI=1S/C13H11NO/c1-3-7-11(8-4-1)13(14-15-13)12-9-5-2-6-10-12/h1-10,14H
InChIKeyXDVKDVJVGXOSRE-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.42
Rot. Bonds2

About 3,3-diphenyloxaziridine

3,3-diphenyloxaziridine (PubChem CID 87219330) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 3,3-diphenyloxaziridine.

Molecular Properties

Compound Name3,3-diphenyloxaziridine
PubChem CID87219330
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name3,3-diphenyloxaziridine
SMILESc1ccc(C2(c3ccccc3)NO2)cc1
InChIInChI=1S/C13H11NO/c1-3-7-11(8-4-1)13(14-15-13)12-9-5-2-6-10-12/h1-10,14H
InChIKeyXDVKDVJVGXOSRE-UHFFFAOYSA-N
XLogP2.42
TPSA34.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyloxaziridine?
The IUPAC name of 3,3-diphenyloxaziridine (CID 87219330) is 3,3-diphenyloxaziridine.
What is the SMILES notation for 3,3-diphenyloxaziridine?
The canonical SMILES for 3,3-diphenyloxaziridine is c1ccc(C2(c3ccccc3)NO2)cc1.
What is the InChIKey of 3,3-diphenyloxaziridine?
The InChIKey is XDVKDVJVGXOSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-3-7-11(8-4-1)13(14-15-13)12-9-5-2-6-10-12/h1-10,14H.
What are the key properties of 3,3-diphenyloxaziridine?
3,3-diphenyloxaziridine has a molecular weight of 197.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyloxaziridine is sourced from PubChem (CID 87219330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).