N-(2-dipropoxyphosphorylethylidene)hydroxylamine

C8H18NO4P — CID 71329549

IUPACN-(2-dipropoxyphosphorylethylidene)hydroxylamine
SMILESCCCOP(=O)(CC=NO)OCCC
InChIInChI=1S/C8H18NO4P/c1-3-6-12-14(11,8-5-9-10)13-7-4-2/h5,10H,3-4,6-8H2,1-2H3
InChIKeyUSRYHWNJUGTEPB-UHFFFAOYSA-N
MW223.21 g/mol
LogP2.49
Rot. Bonds8

About N-(2-dipropoxyphosphorylethylidene)hydroxylamine

N-(2-dipropoxyphosphorylethylidene)hydroxylamine (PubChem CID 71329549) has the molecular formula C8H18NO4P and a molecular weight of 223.21 g/mol. Its IUPAC name is N-(2-dipropoxyphosphorylethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-dipropoxyphosphorylethylidene)hydroxylamine
PubChem CID71329549
Molecular FormulaC8H18NO4P
Molecular Weight223.21 g/mol
Exact Mass223.10
IUPAC NameN-(2-dipropoxyphosphorylethylidene)hydroxylamine
SMILESCCCOP(=O)(CC=NO)OCCC
InChIInChI=1S/C8H18NO4P/c1-3-6-12-14(11,8-5-9-10)13-7-4-2/h5,10H,3-4,6-8H2,1-2H3
InChIKeyUSRYHWNJUGTEPB-UHFFFAOYSA-N
XLogP2.49
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 52.49
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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Frequently Asked Questions

What is the IUPAC name of N-(2-dipropoxyphosphorylethylidene)hydroxylamine?
The IUPAC name of N-(2-dipropoxyphosphorylethylidene)hydroxylamine (CID 71329549) is N-(2-dipropoxyphosphorylethylidene)hydroxylamine.
What is the SMILES notation for N-(2-dipropoxyphosphorylethylidene)hydroxylamine?
The canonical SMILES for N-(2-dipropoxyphosphorylethylidene)hydroxylamine is CCCOP(=O)(CC=NO)OCCC.
What is the InChIKey of N-(2-dipropoxyphosphorylethylidene)hydroxylamine?
The InChIKey is USRYHWNJUGTEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO4P/c1-3-6-12-14(11,8-5-9-10)13-7-4-2/h5,10H,3-4,6-8H2,1-2H3.
What are the key properties of N-(2-dipropoxyphosphorylethylidene)hydroxylamine?
N-(2-dipropoxyphosphorylethylidene)hydroxylamine has a molecular weight of 223.21 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dipropoxyphosphorylethylidene)hydroxylamine is sourced from PubChem (CID 71329549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).