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

C9H12NO4P — CID 14024347

IUPAC(NE)-N-[dimethoxyphosphoryl(phenyl)methylidene]hydroxylamine
SMILESCOP(=O)(OC)/C(=N/O)c1ccccc1
InChIInChI=1S/C9H12NO4P/c1-13-15(12,14-2)9(10-11)8-6-4-3-5-7-8/h3-7,11H,1-2H3/b10-9+
InChIKeyPOCCFCCLICXRFU-MDZDMXLPSA-N
MW229.17 g/mol
LogP2.31
Rot. Bonds4

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

(NE)-N-[dimethoxyphosphoryl(phenyl)methylidene]hydroxylamine (PubChem CID 14024347) has the molecular formula C9H12NO4P and a molecular weight of 229.17 g/mol. Its IUPAC name is (NE)-N-[dimethoxyphosphoryl(phenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[dimethoxyphosphoryl(phenyl)methylidene]hydroxylamine
PubChem CID14024347
Molecular FormulaC9H12NO4P
Molecular Weight229.17 g/mol
Exact Mass229.05
IUPAC Name(NE)-N-[dimethoxyphosphoryl(phenyl)methylidene]hydroxylamine
SMILESCOP(=O)(OC)/C(=N/O)c1ccccc1
InChIInChI=1S/C9H12NO4P/c1-13-15(12,14-2)9(10-11)8-6-4-3-5-7-8/h3-7,11H,1-2H3/b10-9+
InChIKeyPOCCFCCLICXRFU-MDZDMXLPSA-N
XLogP2.31
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 52.31
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'}

Analyze (NE)-N-[dimethoxyphosphoryl(phenyl)methylidene]hydroxylamine 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 (NE)-N-[dimethoxyphosphoryl(phenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[dimethoxyphosphoryl(phenyl)methylidene]hydroxylamine (CID 14024347) is (NE)-N-[dimethoxyphosphoryl(phenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[dimethoxyphosphoryl(phenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[dimethoxyphosphoryl(phenyl)methylidene]hydroxylamine is COP(=O)(OC)/C(=N/O)c1ccccc1.
What is the InChIKey of (NE)-N-[dimethoxyphosphoryl(phenyl)methylidene]hydroxylamine?
The InChIKey is POCCFCCLICXRFU-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H12NO4P/c1-13-15(12,14-2)9(10-11)8-6-4-3-5-7-8/h3-7,11H,1-2H3/b10-9+.
What are the key properties of (NE)-N-[dimethoxyphosphoryl(phenyl)methylidene]hydroxylamine?
(NE)-N-[dimethoxyphosphoryl(phenyl)methylidene]hydroxylamine has a molecular weight of 229.17 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[dimethoxyphosphoryl(phenyl)methylidene]hydroxylamine is sourced from PubChem (CID 14024347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).