(NE)-N-(2-diethoxyphosphorylethylidene)hydroxylamine

C6H14NO4P — CID 13204159

IUPAC(NE)-N-(2-diethoxyphosphorylethylidene)hydroxylamine
SMILESCCOP(=O)(C/C=N/O)OCC
InChIInChI=1S/C6H14NO4P/c1-3-10-12(9,11-4-2)6-5-7-8/h5,8H,3-4,6H2,1-2H3/b7-5+
InChIKeyNKXKQSJZTLWXBU-FNORWQNLSA-N
MW195.15 g/mol
LogP1.71
Rot. Bonds6

About (NE)-N-(2-diethoxyphosphorylethylidene)hydroxylamine

(NE)-N-(2-diethoxyphosphorylethylidene)hydroxylamine (PubChem CID 13204159) has the molecular formula C6H14NO4P and a molecular weight of 195.15 g/mol. Its IUPAC name is (NE)-N-(2-diethoxyphosphorylethylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-diethoxyphosphorylethylidene)hydroxylamine
PubChem CID13204159
Molecular FormulaC6H14NO4P
Molecular Weight195.15 g/mol
Exact Mass195.07
IUPAC Name(NE)-N-(2-diethoxyphosphorylethylidene)hydroxylamine
SMILESCCOP(=O)(C/C=N/O)OCC
InChIInChI=1S/C6H14NO4P/c1-3-10-12(9,11-4-2)6-5-7-8/h5,8H,3-4,6H2,1-2H3/b7-5+
InChIKeyNKXKQSJZTLWXBU-FNORWQNLSA-N
XLogP1.71
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 51.71
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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Related Compounds

Diethyl N-hydroxyethanimidoylphosphonate
CID 9568507
(NE)-N-(3-diethoxyphosphorylpropylidene)hydroxylamine
CID 11052878
Oximinobutylphosphonic acid dimethyl ester
CID 129815734
2-diethoxyphosphoryl-N-methylethanimine oxide
CID 134895089
(E)-2-diethoxyphosphoryl-N-methoxyethanimine
CID 135087116
(NZ)-N-(1-diethoxyphosphorylethylidene)hydroxylamine
CID 5464780
N-(1-diethoxyphosphorylethylidene)hydroxylamine
CID 272988
bis[(2E)-2-methoxyiminoethoxy]-oxophosphanium
CID 17769584
(E)-2-dimethoxyphosphoryl-N-methoxyethanimine
CID 19842332
2-(Ethylideneamino)oxyethoxy-methylphosphinic acid
CID 59073323
Dipropyl [2-(hydroxyimino)ethyl]phosphonate
CID 71329549
Diethyl [2-(hydroxyimino)ethyl]phosphonate
CID 71335397

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2-diethoxyphosphorylethylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-diethoxyphosphorylethylidene)hydroxylamine (CID 13204159) is (NE)-N-(2-diethoxyphosphorylethylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-diethoxyphosphorylethylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-diethoxyphosphorylethylidene)hydroxylamine is CCOP(=O)(C/C=N/O)OCC.
What is the InChIKey of (NE)-N-(2-diethoxyphosphorylethylidene)hydroxylamine?
The InChIKey is NKXKQSJZTLWXBU-FNORWQNLSA-N. The full InChI is InChI=1S/C6H14NO4P/c1-3-10-12(9,11-4-2)6-5-7-8/h5,8H,3-4,6H2,1-2H3/b7-5+.
What are the key properties of (NE)-N-(2-diethoxyphosphorylethylidene)hydroxylamine?
(NE)-N-(2-diethoxyphosphorylethylidene)hydroxylamine has a molecular weight of 195.15 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-diethoxyphosphorylethylidene)hydroxylamine is sourced from PubChem (CID 13204159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).