(NE)-N-[(2-diphenylphosphanylphenyl)methylidene]hydroxylamine

C19H16NOP — CID 15655459

IUPAC(NE)-N-[(2-diphenylphosphanylphenyl)methylidene]hydroxylamine
SMILESO/N=C/c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16NOP/c21-20-15-16-9-7-8-14-19(16)22(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15,21H/b20-15+
InChIKeyXHIVESUSSLEMGJ-HMMYKYKNSA-N
MW305.32 g/mol
LogP3.25
Rot. Bonds4

About (NE)-N-[(2-diphenylphosphanylphenyl)methylidene]hydroxylamine

(NE)-N-[(2-diphenylphosphanylphenyl)methylidene]hydroxylamine (PubChem CID 15655459) has the molecular formula C19H16NOP and a molecular weight of 305.32 g/mol. Its IUPAC name is (NE)-N-[(2-diphenylphosphanylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-diphenylphosphanylphenyl)methylidene]hydroxylamine
PubChem CID15655459
Molecular FormulaC19H16NOP
Molecular Weight305.32 g/mol
Exact Mass305.10
IUPAC Name(NE)-N-[(2-diphenylphosphanylphenyl)methylidene]hydroxylamine
SMILESO/N=C/c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16NOP/c21-20-15-16-9-7-8-14-19(16)22(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15,21H/b20-15+
InChIKeyXHIVESUSSLEMGJ-HMMYKYKNSA-N
XLogP3.25
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(2-diphenylphosphanylphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-diphenylphosphanylphenyl)methylidene]hydroxylamine (CID 15655459) is (NE)-N-[(2-diphenylphosphanylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-diphenylphosphanylphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-diphenylphosphanylphenyl)methylidene]hydroxylamine is O/N=C/c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (NE)-N-[(2-diphenylphosphanylphenyl)methylidene]hydroxylamine?
The InChIKey is XHIVESUSSLEMGJ-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H16NOP/c21-20-15-16-9-7-8-14-19(16)22(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15,21H/b20-15+.
What are the key properties of (NE)-N-[(2-diphenylphosphanylphenyl)methylidene]hydroxylamine?
(NE)-N-[(2-diphenylphosphanylphenyl)methylidene]hydroxylamine has a molecular weight of 305.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-diphenylphosphanylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 15655459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).