[2-[(2S)-oxiran-2-yl]-1,1-diphenylethyl]diazene

C16H16N2O — CID 178096628

IUPAC[2-[(2S)-oxiran-2-yl]-1,1-diphenylethyl]diazene
SMILES[H]/N=N/C(C[C@H]1CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N2O/c17-18-16(11-15-12-19-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2/b18-17+/t15-/m0/s1
InChIKeyJGKJIKIKIMVXEH-HEWTWTGNSA-N
MW252.32 g/mol
LogP3.75
Rot. Bonds5

About [2-[(2S)-oxiran-2-yl]-1,1-diphenylethyl]diazene

[2-[(2S)-oxiran-2-yl]-1,1-diphenylethyl]diazene (PubChem CID 178096628) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is [2-[(2S)-oxiran-2-yl]-1,1-diphenylethyl]diazene.

Molecular Properties

Compound Name[2-[(2S)-oxiran-2-yl]-1,1-diphenylethyl]diazene
PubChem CID178096628
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name[2-[(2S)-oxiran-2-yl]-1,1-diphenylethyl]diazene
SMILES[H]/N=N/C(C[C@H]1CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N2O/c17-18-16(11-15-12-19-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2/b18-17+/t15-/m0/s1
InChIKeyJGKJIKIKIMVXEH-HEWTWTGNSA-N
XLogP3.75
TPSA48.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-oxiran-2-yl]-1,1-diphenylethyl]diazene?
The IUPAC name of [2-[(2S)-oxiran-2-yl]-1,1-diphenylethyl]diazene (CID 178096628) is [2-[(2S)-oxiran-2-yl]-1,1-diphenylethyl]diazene.
What is the SMILES notation for [2-[(2S)-oxiran-2-yl]-1,1-diphenylethyl]diazene?
The canonical SMILES for [2-[(2S)-oxiran-2-yl]-1,1-diphenylethyl]diazene is [H]/N=N/C(C[C@H]1CO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[(2S)-oxiran-2-yl]-1,1-diphenylethyl]diazene?
The InChIKey is JGKJIKIKIMVXEH-HEWTWTGNSA-N. The full InChI is InChI=1S/C16H16N2O/c17-18-16(11-15-12-19-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2/b18-17+/t15-/m0/s1.
What are the key properties of [2-[(2S)-oxiran-2-yl]-1,1-diphenylethyl]diazene?
[2-[(2S)-oxiran-2-yl]-1,1-diphenylethyl]diazene has a molecular weight of 252.32 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-oxiran-2-yl]-1,1-diphenylethyl]diazene is sourced from PubChem (CID 178096628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).