(NE)-N-[2-[ethoxy(methoxy)phosphoryl]ethylidene]hydroxylamine

C5H12NO4P — CID 146347071

IUPAC(NE)-N-[2-[ethoxy(methoxy)phosphoryl]ethylidene]hydroxylamine
SMILESCCOP(=O)(C/C=N/O)OC
InChIInChI=1S/C5H12NO4P/c1-3-10-11(8,9-2)5-4-6-7/h4,7H,3,5H2,1-2H3/b6-4+
InChIKeyWJXGATKAZXBGGI-GQCTYLIASA-N
MW181.13 g/mol
LogP1.32
Rot. Bonds5

About (NE)-N-[2-[ethoxy(methoxy)phosphoryl]ethylidene]hydroxylamine

(NE)-N-[2-[ethoxy(methoxy)phosphoryl]ethylidene]hydroxylamine (PubChem CID 146347071) has the molecular formula C5H12NO4P and a molecular weight of 181.13 g/mol. Its IUPAC name is (NE)-N-[2-[ethoxy(methoxy)phosphoryl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-[ethoxy(methoxy)phosphoryl]ethylidene]hydroxylamine
PubChem CID146347071
Molecular FormulaC5H12NO4P
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC Name(NE)-N-[2-[ethoxy(methoxy)phosphoryl]ethylidene]hydroxylamine
SMILESCCOP(=O)(C/C=N/O)OC
InChIInChI=1S/C5H12NO4P/c1-3-10-11(8,9-2)5-4-6-7/h4,7H,3,5H2,1-2H3/b6-4+
InChIKeyWJXGATKAZXBGGI-GQCTYLIASA-N
XLogP1.32
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 51.32
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-(2-diethoxyphosphorylethylidene)hydroxylamine
CID 13204159
(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

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-[ethoxy(methoxy)phosphoryl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-[ethoxy(methoxy)phosphoryl]ethylidene]hydroxylamine (CID 146347071) is (NE)-N-[2-[ethoxy(methoxy)phosphoryl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-[ethoxy(methoxy)phosphoryl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-[ethoxy(methoxy)phosphoryl]ethylidene]hydroxylamine is CCOP(=O)(C/C=N/O)OC.
What is the InChIKey of (NE)-N-[2-[ethoxy(methoxy)phosphoryl]ethylidene]hydroxylamine?
The InChIKey is WJXGATKAZXBGGI-GQCTYLIASA-N. The full InChI is InChI=1S/C5H12NO4P/c1-3-10-11(8,9-2)5-4-6-7/h4,7H,3,5H2,1-2H3/b6-4+.
What are the key properties of (NE)-N-[2-[ethoxy(methoxy)phosphoryl]ethylidene]hydroxylamine?
(NE)-N-[2-[ethoxy(methoxy)phosphoryl]ethylidene]hydroxylamine has a molecular weight of 181.13 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-[ethoxy(methoxy)phosphoryl]ethylidene]hydroxylamine is sourced from PubChem (CID 146347071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).