(NE)-N-[1-[2-(phosphanyloxymethyl)phenyl]ethylidene]hydroxylamine

C9H12NO2P — CID 59963804

IUPAC(NE)-N-[1-[2-(phosphanyloxymethyl)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccccc1COP
InChIInChI=1S/C9H12NO2P/c1-7(10-11)9-5-3-2-4-8(9)6-12-13/h2-5,11H,6,13H2,1H3/b10-7+
InChIKeyYXCRFJDMFUVTNH-JXMROGBWSA-N
MW197.17 g/mol
LogP2.19
Rot. Bonds3

About (NE)-N-[1-[2-(phosphanyloxymethyl)phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[2-(phosphanyloxymethyl)phenyl]ethylidene]hydroxylamine (PubChem CID 59963804) has the molecular formula C9H12NO2P and a molecular weight of 197.17 g/mol. Its IUPAC name is (NE)-N-[1-[2-(phosphanyloxymethyl)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[2-(phosphanyloxymethyl)phenyl]ethylidene]hydroxylamine
PubChem CID59963804
Molecular FormulaC9H12NO2P
Molecular Weight197.17 g/mol
Exact Mass197.06
IUPAC Name(NE)-N-[1-[2-(phosphanyloxymethyl)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccccc1COP
InChIInChI=1S/C9H12NO2P/c1-7(10-11)9-5-3-2-4-8(9)6-12-13/h2-5,11H,6,13H2,1H3/b10-7+
InChIKeyYXCRFJDMFUVTNH-JXMROGBWSA-N
XLogP2.19
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 52.19
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': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[2-(phosphanyloxymethyl)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[2-(phosphanyloxymethyl)phenyl]ethylidene]hydroxylamine (CID 59963804) is (NE)-N-[1-[2-(phosphanyloxymethyl)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[2-(phosphanyloxymethyl)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[2-(phosphanyloxymethyl)phenyl]ethylidene]hydroxylamine is C/C(=N\O)c1ccccc1COP.
What is the InChIKey of (NE)-N-[1-[2-(phosphanyloxymethyl)phenyl]ethylidene]hydroxylamine?
The InChIKey is YXCRFJDMFUVTNH-JXMROGBWSA-N. The full InChI is InChI=1S/C9H12NO2P/c1-7(10-11)9-5-3-2-4-8(9)6-12-13/h2-5,11H,6,13H2,1H3/b10-7+.
What are the key properties of (NE)-N-[1-[2-(phosphanyloxymethyl)phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[2-(phosphanyloxymethyl)phenyl]ethylidene]hydroxylamine has a molecular weight of 197.17 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[2-(phosphanyloxymethyl)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 59963804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).