N-methoxy-2-[methoxy(methyl)phosphoryl]oxyethanimine

C5H12NO4P — CID 88631889

IUPACN-methoxy-2-[methoxy(methyl)phosphoryl]oxyethanimine
SMILESCON=CCOP(C)(=O)OC
InChIInChI=1S/C5H12NO4P/c1-8-6-4-5-10-11(3,7)9-2/h4H,5H2,1-3H3
InChIKeyXFVMXWJMSAREHN-UHFFFAOYSA-N
MW181.13 g/mol
LogP1.10
Rot. Bonds5

About N-methoxy-2-[methoxy(methyl)phosphoryl]oxyethanimine

N-methoxy-2-[methoxy(methyl)phosphoryl]oxyethanimine (PubChem CID 88631889) has the molecular formula C5H12NO4P and a molecular weight of 181.13 g/mol. Its IUPAC name is N-methoxy-2-[methoxy(methyl)phosphoryl]oxyethanimine.

Molecular Properties

Compound NameN-methoxy-2-[methoxy(methyl)phosphoryl]oxyethanimine
PubChem CID88631889
Molecular FormulaC5H12NO4P
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC NameN-methoxy-2-[methoxy(methyl)phosphoryl]oxyethanimine
SMILESCON=CCOP(C)(=O)OC
InChIInChI=1S/C5H12NO4P/c1-8-6-4-5-10-11(3,7)9-2/h4H,5H2,1-3H3
InChIKeyXFVMXWJMSAREHN-UHFFFAOYSA-N
XLogP1.10
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methoxy-2-[methoxy(methyl)phosphoryl]oxyethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-[methoxy(methyl)phosphoryl]oxyethanimine?
The IUPAC name of N-methoxy-2-[methoxy(methyl)phosphoryl]oxyethanimine (CID 88631889) is N-methoxy-2-[methoxy(methyl)phosphoryl]oxyethanimine.
What is the SMILES notation for N-methoxy-2-[methoxy(methyl)phosphoryl]oxyethanimine?
The canonical SMILES for N-methoxy-2-[methoxy(methyl)phosphoryl]oxyethanimine is CON=CCOP(C)(=O)OC.
What is the InChIKey of N-methoxy-2-[methoxy(methyl)phosphoryl]oxyethanimine?
The InChIKey is XFVMXWJMSAREHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO4P/c1-8-6-4-5-10-11(3,7)9-2/h4H,5H2,1-3H3.
What are the key properties of N-methoxy-2-[methoxy(methyl)phosphoryl]oxyethanimine?
N-methoxy-2-[methoxy(methyl)phosphoryl]oxyethanimine has a molecular weight of 181.13 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-[methoxy(methyl)phosphoryl]oxyethanimine is sourced from PubChem (CID 88631889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).