2-[nitroso(phenyl)methyl]-3-phenyloxirane

C15H13NO2 — CID 86766821

IUPAC2-[nitroso(phenyl)methyl]-3-phenyloxirane
SMILESO=NC(c1ccccc1)C1OC1c1ccccc1
InChIInChI=1S/C15H13NO2/c17-16-13(11-7-3-1-4-8-11)15-14(18-15)12-9-5-2-6-10-12/h1-10,13-15H
InChIKeyOMGAPFGTLVUQBM-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.63
Rot. Bonds4

About 2-[nitroso(phenyl)methyl]-3-phenyloxirane

2-[nitroso(phenyl)methyl]-3-phenyloxirane (PubChem CID 86766821) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[nitroso(phenyl)methyl]-3-phenyloxirane.

Molecular Properties

Compound Name2-[nitroso(phenyl)methyl]-3-phenyloxirane
PubChem CID86766821
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-[nitroso(phenyl)methyl]-3-phenyloxirane
SMILESO=NC(c1ccccc1)C1OC1c1ccccc1
InChIInChI=1S/C15H13NO2/c17-16-13(11-7-3-1-4-8-11)15-14(18-15)12-9-5-2-6-10-12/h1-10,13-15H
InChIKeyOMGAPFGTLVUQBM-UHFFFAOYSA-N
XLogP3.63
TPSA41.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[nitroso(phenyl)methyl]-3-phenyloxirane?
The IUPAC name of 2-[nitroso(phenyl)methyl]-3-phenyloxirane (CID 86766821) is 2-[nitroso(phenyl)methyl]-3-phenyloxirane.
What is the SMILES notation for 2-[nitroso(phenyl)methyl]-3-phenyloxirane?
The canonical SMILES for 2-[nitroso(phenyl)methyl]-3-phenyloxirane is O=NC(c1ccccc1)C1OC1c1ccccc1.
What is the InChIKey of 2-[nitroso(phenyl)methyl]-3-phenyloxirane?
The InChIKey is OMGAPFGTLVUQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-16-13(11-7-3-1-4-8-11)15-14(18-15)12-9-5-2-6-10-12/h1-10,13-15H.
What are the key properties of 2-[nitroso(phenyl)methyl]-3-phenyloxirane?
2-[nitroso(phenyl)methyl]-3-phenyloxirane has a molecular weight of 239.27 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[nitroso(phenyl)methyl]-3-phenyloxirane is sourced from PubChem (CID 86766821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).