N-(dimethoxyphosphorylmethyliminomethyl)-N-hydroxyformamide

C5H11N2O5P — CID 59082936

IUPACN-(dimethoxyphosphorylmethyliminomethyl)-N-hydroxyformamide
SMILESCOP(=O)(CN=CN(O)C=O)OC
InChIInChI=1S/C5H11N2O5P/c1-11-13(10,12-2)4-6-3-7(9)5-8/h3,5,9H,4H2,1-2H3
InChIKeyRGTOINPXJVMXMP-UHFFFAOYSA-N
MW210.13 g/mol
LogP0.31
Rot. Bonds6

About N-(dimethoxyphosphorylmethyliminomethyl)-N-hydroxyformamide

N-(dimethoxyphosphorylmethyliminomethyl)-N-hydroxyformamide (PubChem CID 59082936) has the molecular formula C5H11N2O5P and a molecular weight of 210.13 g/mol. Its IUPAC name is N-(dimethoxyphosphorylmethyliminomethyl)-N-hydroxyformamide.

Molecular Properties

Compound NameN-(dimethoxyphosphorylmethyliminomethyl)-N-hydroxyformamide
PubChem CID59082936
Molecular FormulaC5H11N2O5P
Molecular Weight210.13 g/mol
Exact Mass210.04
IUPAC NameN-(dimethoxyphosphorylmethyliminomethyl)-N-hydroxyformamide
SMILESCOP(=O)(CN=CN(O)C=O)OC
InChIInChI=1S/C5H11N2O5P/c1-11-13(10,12-2)4-6-3-7(9)5-8/h3,5,9H,4H2,1-2H3
InChIKeyRGTOINPXJVMXMP-UHFFFAOYSA-N
XLogP0.31
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[formyl(hydroxy)amino]methylideneamino]methylphosphonic acid
CID 9812935
sodium [(E)-[formyl(hydroxy)amino]methylideneamino]methyl-hydroxyphosphinate
CID 23689653

Frequently Asked Questions

What is the IUPAC name of N-(dimethoxyphosphorylmethyliminomethyl)-N-hydroxyformamide?
The IUPAC name of N-(dimethoxyphosphorylmethyliminomethyl)-N-hydroxyformamide (CID 59082936) is N-(dimethoxyphosphorylmethyliminomethyl)-N-hydroxyformamide.
What is the SMILES notation for N-(dimethoxyphosphorylmethyliminomethyl)-N-hydroxyformamide?
The canonical SMILES for N-(dimethoxyphosphorylmethyliminomethyl)-N-hydroxyformamide is COP(=O)(CN=CN(O)C=O)OC.
What is the InChIKey of N-(dimethoxyphosphorylmethyliminomethyl)-N-hydroxyformamide?
The InChIKey is RGTOINPXJVMXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2O5P/c1-11-13(10,12-2)4-6-3-7(9)5-8/h3,5,9H,4H2,1-2H3.
What are the key properties of N-(dimethoxyphosphorylmethyliminomethyl)-N-hydroxyformamide?
N-(dimethoxyphosphorylmethyliminomethyl)-N-hydroxyformamide has a molecular weight of 210.13 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethoxyphosphorylmethyliminomethyl)-N-hydroxyformamide is sourced from PubChem (CID 59082936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).