2-(methoxyamino)prop-1-enyl dimethyl phosphate

C6H14NO5P — CID 57038972

IUPAC2-(methoxyamino)prop-1-enyl dimethyl phosphate
SMILESCONC(C)=COP(=O)(OC)OC
InChIInChI=1S/C6H14NO5P/c1-6(7-9-2)5-12-13(8,10-3)11-4/h5,7H,1-4H3
InChIKeyIIXOVOTYKRILKL-UHFFFAOYSA-N
MW211.15 g/mol
LogP1.42
Rot. Bonds6

About 2-(methoxyamino)prop-1-enyl dimethyl phosphate

2-(methoxyamino)prop-1-enyl dimethyl phosphate (PubChem CID 57038972) has the molecular formula C6H14NO5P and a molecular weight of 211.15 g/mol. Its IUPAC name is 2-(methoxyamino)prop-1-enyl dimethyl phosphate.

Molecular Properties

Compound Name2-(methoxyamino)prop-1-enyl dimethyl phosphate
PubChem CID57038972
Molecular FormulaC6H14NO5P
Molecular Weight211.15 g/mol
Exact Mass211.06
IUPAC Name2-(methoxyamino)prop-1-enyl dimethyl phosphate
SMILESCONC(C)=COP(=O)(OC)OC
InChIInChI=1S/C6H14NO5P/c1-6(7-9-2)5-12-13(8,10-3)11-4/h5,7H,1-4H3
InChIKeyIIXOVOTYKRILKL-UHFFFAOYSA-N
XLogP1.42
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-(methoxyamino)prop-1-enyl dimethyl phosphate 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

potassium;hydride;phosphoric acid;trimethyl phosphate
CID 174889020
tert-butyl 2,2-dichloroethenyl methyl phosphate
CID 21421354
[(E)-2-chloro-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl] dimethyl phosphate
CID 90472035
ethenyl(methoxy)phosphinic acid;ethenylphosphonic acid
CID 158810817
[(Z)-2-bromoethenyl] dimethyl phosphate
CID 23271305
hydroxy dimethyl phosphate
CID 126582959
methylsulfinylmethane;trimethyl phosphate
CID 161484934
ethenyl(methoxy)phosphinic acid
CID 19693452
methyl (E)-3-dimethoxyphosphoryloxybut-2-enoate
CID 5355863
dimethoxyphosphoryl 2-aminoacetate
CID 150492348
[(E)-1-bromoprop-1-en-2-yl] dimethyl phosphate
CID 5371580
2,2-bis(hydroxymethyl)propane-1,3-diol;prop-2-enoic acid;trimethyl phosphate
CID 174679316

Frequently Asked Questions

What is the IUPAC name of 2-(methoxyamino)prop-1-enyl dimethyl phosphate?
The IUPAC name of 2-(methoxyamino)prop-1-enyl dimethyl phosphate (CID 57038972) is 2-(methoxyamino)prop-1-enyl dimethyl phosphate.
What is the SMILES notation for 2-(methoxyamino)prop-1-enyl dimethyl phosphate?
The canonical SMILES for 2-(methoxyamino)prop-1-enyl dimethyl phosphate is CONC(C)=COP(=O)(OC)OC.
What is the InChIKey of 2-(methoxyamino)prop-1-enyl dimethyl phosphate?
The InChIKey is IIXOVOTYKRILKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO5P/c1-6(7-9-2)5-12-13(8,10-3)11-4/h5,7H,1-4H3.
What are the key properties of 2-(methoxyamino)prop-1-enyl dimethyl phosphate?
2-(methoxyamino)prop-1-enyl dimethyl phosphate has a molecular weight of 211.15 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxyamino)prop-1-enyl dimethyl phosphate is sourced from PubChem (CID 57038972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).