N-[phenyl-(3-phenyloxiran-2-yl)methylidene]hydroxylamine

C15H13NO2 — CID 154634033

IUPACN-[phenyl-(3-phenyloxiran-2-yl)methylidene]hydroxylamine
SMILESON=C(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/h1-10,14-15,17H
InChIKeyDVVJXAWROKFKLU-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.01
Rot. Bonds3

About N-[phenyl-(3-phenyloxiran-2-yl)methylidene]hydroxylamine

N-[phenyl-(3-phenyloxiran-2-yl)methylidene]hydroxylamine (PubChem CID 154634033) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[phenyl-(3-phenyloxiran-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[phenyl-(3-phenyloxiran-2-yl)methylidene]hydroxylamine
PubChem CID154634033
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC NameN-[phenyl-(3-phenyloxiran-2-yl)methylidene]hydroxylamine
SMILESON=C(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/h1-10,14-15,17H
InChIKeyDVVJXAWROKFKLU-UHFFFAOYSA-N
XLogP3.01
TPSA45.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[phenyl-(3-phenyloxiran-2-yl)methylidene]hydroxylamine?
The IUPAC name of N-[phenyl-(3-phenyloxiran-2-yl)methylidene]hydroxylamine (CID 154634033) is N-[phenyl-(3-phenyloxiran-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[phenyl-(3-phenyloxiran-2-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[phenyl-(3-phenyloxiran-2-yl)methylidene]hydroxylamine is ON=C(c1ccccc1)C1OC1c1ccccc1.
What is the InChIKey of N-[phenyl-(3-phenyloxiran-2-yl)methylidene]hydroxylamine?
The InChIKey is DVVJXAWROKFKLU-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/h1-10,14-15,17H.
What are the key properties of N-[phenyl-(3-phenyloxiran-2-yl)methylidene]hydroxylamine?
N-[phenyl-(3-phenyloxiran-2-yl)methylidene]hydroxylamine has a molecular weight of 239.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-(3-phenyloxiran-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 154634033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).