phenyl-(2-phenylaziridin-2-yl)methanone

C15H13NO — CID 141297159

IUPACphenyl-(2-phenylaziridin-2-yl)methanone
SMILESO=C(c1ccccc1)C1(c2ccccc2)CN1
InChIInChI=1S/C15H13NO/c17-14(12-7-3-1-4-8-12)15(11-16-15)13-9-5-2-6-10-13/h1-10,16H,11H2
InChIKeyJFLDPEHZOPUJKB-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.37
Rot. Bonds3

About phenyl-(2-phenylaziridin-2-yl)methanone

phenyl-(2-phenylaziridin-2-yl)methanone (PubChem CID 141297159) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is phenyl-(2-phenylaziridin-2-yl)methanone.

Molecular Properties

Compound Namephenyl-(2-phenylaziridin-2-yl)methanone
PubChem CID141297159
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Namephenyl-(2-phenylaziridin-2-yl)methanone
SMILESO=C(c1ccccc1)C1(c2ccccc2)CN1
InChIInChI=1S/C15H13NO/c17-14(12-7-3-1-4-8-12)15(11-16-15)13-9-5-2-6-10-13/h1-10,16H,11H2
InChIKeyJFLDPEHZOPUJKB-UHFFFAOYSA-N
XLogP2.37
TPSA39.01 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phenyl-(2-phenylaziridin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-phenylaziridin-2-yl)methanone?
The IUPAC name of phenyl-(2-phenylaziridin-2-yl)methanone (CID 141297159) is phenyl-(2-phenylaziridin-2-yl)methanone.
What is the SMILES notation for phenyl-(2-phenylaziridin-2-yl)methanone?
The canonical SMILES for phenyl-(2-phenylaziridin-2-yl)methanone is O=C(c1ccccc1)C1(c2ccccc2)CN1.
What is the InChIKey of phenyl-(2-phenylaziridin-2-yl)methanone?
The InChIKey is JFLDPEHZOPUJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c17-14(12-7-3-1-4-8-12)15(11-16-15)13-9-5-2-6-10-13/h1-10,16H,11H2.
What are the key properties of phenyl-(2-phenylaziridin-2-yl)methanone?
phenyl-(2-phenylaziridin-2-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-phenylaziridin-2-yl)methanone is sourced from PubChem (CID 141297159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).