N-(2-diethoxyphosphorylethylidene)hydroxylamine

C6H14NO4P — CID 71335397

IUPACN-(2-diethoxyphosphorylethylidene)hydroxylamine
SMILESCCOP(=O)(CC=NO)OCC
InChIInChI=1S/C6H14NO4P/c1-3-10-12(9,11-4-2)6-5-7-8/h5,8H,3-4,6H2,1-2H3
InChIKeyNKXKQSJZTLWXBU-UHFFFAOYSA-N
MW195.15 g/mol
LogP1.71
Rot. Bonds6

About N-(2-diethoxyphosphorylethylidene)hydroxylamine

N-(2-diethoxyphosphorylethylidene)hydroxylamine (PubChem CID 71335397) has the molecular formula C6H14NO4P and a molecular weight of 195.15 g/mol. Its IUPAC name is N-(2-diethoxyphosphorylethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-diethoxyphosphorylethylidene)hydroxylamine
PubChem CID71335397
Molecular FormulaC6H14NO4P
Molecular Weight195.15 g/mol
Exact Mass195.07
IUPAC NameN-(2-diethoxyphosphorylethylidene)hydroxylamine
SMILESCCOP(=O)(CC=NO)OCC
InChIInChI=1S/C6H14NO4P/c1-3-10-12(9,11-4-2)6-5-7-8/h5,8H,3-4,6H2,1-2H3
InChIKeyNKXKQSJZTLWXBU-UHFFFAOYSA-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

N-(2-dihexoxyphosphorylethylidene)hydroxylamine
CID 169084780
3-diethoxyphosphorylprop-1-ene
CID 573014
4-diethoxyphosphorylbut-2-enylphosphonic acid
CID 141199964
(Z)-1-diethoxyphosphoryl-3-fluorobut-2-ene
CID 15499028
4-diethoxyphosphorylbut-2-en-1-amine
CID 54382896
1-[ethoxy(methoxymethyl)phosphoryl]oxyethane
CID 11658394
sodium diethoxyphosphorylmethanol
CID 22274944
(Z)-4-diethoxyphosphoryl-2-fluorobut-2-enenitrile
CID 15099088
(E)-1-diethoxyphosphoryl-3-methyloct-2-ene
CID 134894980
(E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide
CID 134860935
tert-butyl (E)-4-diethoxyphosphorylbut-2-enoate
CID 15660626
4-diethoxyphosphoryl-3-methyl(1,2-13C2)but-2-enenitrile
CID 131667764

Frequently Asked Questions

What is the IUPAC name of N-(2-diethoxyphosphorylethylidene)hydroxylamine?
The IUPAC name of N-(2-diethoxyphosphorylethylidene)hydroxylamine (CID 71335397) is N-(2-diethoxyphosphorylethylidene)hydroxylamine.
What is the SMILES notation for N-(2-diethoxyphosphorylethylidene)hydroxylamine?
The canonical SMILES for N-(2-diethoxyphosphorylethylidene)hydroxylamine is CCOP(=O)(CC=NO)OCC.
What is the InChIKey of N-(2-diethoxyphosphorylethylidene)hydroxylamine?
The InChIKey is NKXKQSJZTLWXBU-UHFFFAOYSA-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.
What are the key properties of N-(2-diethoxyphosphorylethylidene)hydroxylamine?
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 N-(2-diethoxyphosphorylethylidene)hydroxylamine is sourced from PubChem (CID 71335397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).