(NE)-N-[diethoxyphosphoryl(phenyl)methylidene]hydroxylamine

C11H16NO4P — CID 10083784

IUPAC(NE)-N-[diethoxyphosphoryl(phenyl)methylidene]hydroxylamine
SMILESCCOP(=O)(OCC)/C(=N/O)c1ccccc1
InChIInChI=1S/C11H16NO4P/c1-3-15-17(14,16-4-2)11(12-13)10-8-6-5-7-9-10/h5-9,13H,3-4H2,1-2H3/b12-11+
InChIKeyGQRDCKBYLSNMFP-VAWYXSNFSA-N
MW257.23 g/mol
LogP3.09
Rot. Bonds6

About (NE)-N-[diethoxyphosphoryl(phenyl)methylidene]hydroxylamine

(NE)-N-[diethoxyphosphoryl(phenyl)methylidene]hydroxylamine (PubChem CID 10083784) has the molecular formula C11H16NO4P and a molecular weight of 257.23 g/mol. Its IUPAC name is (NE)-N-[diethoxyphosphoryl(phenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[diethoxyphosphoryl(phenyl)methylidene]hydroxylamine
PubChem CID10083784
Molecular FormulaC11H16NO4P
Molecular Weight257.23 g/mol
Exact Mass257.08
IUPAC Name(NE)-N-[diethoxyphosphoryl(phenyl)methylidene]hydroxylamine
SMILESCCOP(=O)(OCC)/C(=N/O)c1ccccc1
InChIInChI=1S/C11H16NO4P/c1-3-15-17(14,16-4-2)11(12-13)10-8-6-5-7-9-10/h5-9,13H,3-4H2,1-2H3/b12-11+
InChIKeyGQRDCKBYLSNMFP-VAWYXSNFSA-N
XLogP3.09
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[diethoxyphosphoryl(phenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[diethoxyphosphoryl(phenyl)methylidene]hydroxylamine (CID 10083784) is (NE)-N-[diethoxyphosphoryl(phenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[diethoxyphosphoryl(phenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[diethoxyphosphoryl(phenyl)methylidene]hydroxylamine is CCOP(=O)(OCC)/C(=N/O)c1ccccc1.
What is the InChIKey of (NE)-N-[diethoxyphosphoryl(phenyl)methylidene]hydroxylamine?
The InChIKey is GQRDCKBYLSNMFP-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H16NO4P/c1-3-15-17(14,16-4-2)11(12-13)10-8-6-5-7-9-10/h5-9,13H,3-4H2,1-2H3/b12-11+.
What are the key properties of (NE)-N-[diethoxyphosphoryl(phenyl)methylidene]hydroxylamine?
(NE)-N-[diethoxyphosphoryl(phenyl)methylidene]hydroxylamine has a molecular weight of 257.23 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[diethoxyphosphoryl(phenyl)methylidene]hydroxylamine is sourced from PubChem (CID 10083784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).