(E)-2-dimethoxyphosphoryl-N-methoxyethanimine

C5H12NO4P — CID 19842332

IUPAC(E)-2-dimethoxyphosphoryl-N-methoxyethanimine
SMILESCO/N=C/CP(=O)(OC)OC
InChIInChI=1S/C5H12NO4P/c1-8-6-4-5-11(7,9-2)10-3/h4H,5H2,1-3H3/b6-4+
InChIKeyGSVWOOFZGJRAEE-GQCTYLIASA-N
MW181.13 g/mol
LogP1.10
Rot. Bonds5

About (E)-2-dimethoxyphosphoryl-N-methoxyethanimine

(E)-2-dimethoxyphosphoryl-N-methoxyethanimine (PubChem CID 19842332) has the molecular formula C5H12NO4P and a molecular weight of 181.13 g/mol. Its IUPAC name is (E)-2-dimethoxyphosphoryl-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-2-dimethoxyphosphoryl-N-methoxyethanimine
PubChem CID19842332
Molecular FormulaC5H12NO4P
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC Name(E)-2-dimethoxyphosphoryl-N-methoxyethanimine
SMILESCO/N=C/CP(=O)(OC)OC
InChIInChI=1S/C5H12NO4P/c1-8-6-4-5-11(7,9-2)10-3/h4H,5H2,1-3H3/b6-4+
InChIKeyGSVWOOFZGJRAEE-GQCTYLIASA-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 (E)-2-dimethoxyphosphoryl-N-methoxyethanimine with MolForge

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

Launch Full Analysis

Related Compounds

N,N'-dimethoxypropane-1,3-diimine
CID 54222085
(Z)-N,2-dimethoxyethanimine;2-methoxyacetaldehyde
CID 54355769
N-methoxy-2-methylsulfanylethanimine
CID 91242094
dimethoxyphosphorylmethanamine
CID 13310504
(1Z)-1-methoxyimino-4,4-dimethylpentan-3-one
CID 159070752
N-(2-diethoxyphosphorylethylidene)hydroxylamine
CID 71335397
ethyl 4-dimethoxyphosphorylbut-2-enoate
CID 71350165
methyl 4-dimethoxyphosphoryl-3-methylbut-2-enoate
CID 54369846
(Z)-N-methoxy-2-prop-1-en-2-yloxyethanimine
CID 172920000
fluoro 4-fluoro-2-(2-methoxyiminoethyl)-3-oxobutanoate
CID 174532379
N-(dimethoxyphosphorylmethyliminomethyl)-N-hydroxyformamide
CID 59082936
1-dimethoxyphosphoryl-6-methylhept-5-en-2-one
CID 13267135

Frequently Asked Questions

What is the IUPAC name of (E)-2-dimethoxyphosphoryl-N-methoxyethanimine?
The IUPAC name of (E)-2-dimethoxyphosphoryl-N-methoxyethanimine (CID 19842332) is (E)-2-dimethoxyphosphoryl-N-methoxyethanimine.
What is the SMILES notation for (E)-2-dimethoxyphosphoryl-N-methoxyethanimine?
The canonical SMILES for (E)-2-dimethoxyphosphoryl-N-methoxyethanimine is CO/N=C/CP(=O)(OC)OC.
What is the InChIKey of (E)-2-dimethoxyphosphoryl-N-methoxyethanimine?
The InChIKey is GSVWOOFZGJRAEE-GQCTYLIASA-N. The full InChI is InChI=1S/C5H12NO4P/c1-8-6-4-5-11(7,9-2)10-3/h4H,5H2,1-3H3/b6-4+.
What are the key properties of (E)-2-dimethoxyphosphoryl-N-methoxyethanimine?
(E)-2-dimethoxyphosphoryl-N-methoxyethanimine 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 (E)-2-dimethoxyphosphoryl-N-methoxyethanimine is sourced from PubChem (CID 19842332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).