(1E)-1-dimethoxyphosphanyl-1-(methylhydrazinylidene)propan-2-one

C6H13N2O3P — CID 129091703

IUPAC(1E)-1-dimethoxyphosphanyl-1-(methylhydrazinylidene)propan-2-one
SMILESCN/N=C(\C(C)=O)P(OC)OC
InChIInChI=1S/C6H13N2O3P/c1-5(9)6(8-7-2)12(10-3)11-4/h7H,1-4H3/b8-6+
InChIKeyBDUWRFOIKYEDOH-SOFGYWHQSA-N
MW192.16 g/mol
LogP0.71
Rot. Bonds5

About (1E)-1-dimethoxyphosphanyl-1-(methylhydrazinylidene)propan-2-one

(1E)-1-dimethoxyphosphanyl-1-(methylhydrazinylidene)propan-2-one (PubChem CID 129091703) has the molecular formula C6H13N2O3P and a molecular weight of 192.16 g/mol. Its IUPAC name is (1E)-1-dimethoxyphosphanyl-1-(methylhydrazinylidene)propan-2-one.

Molecular Properties

Compound Name(1E)-1-dimethoxyphosphanyl-1-(methylhydrazinylidene)propan-2-one
PubChem CID129091703
Molecular FormulaC6H13N2O3P
Molecular Weight192.16 g/mol
Exact Mass192.07
IUPAC Name(1E)-1-dimethoxyphosphanyl-1-(methylhydrazinylidene)propan-2-one
SMILESCN/N=C(\C(C)=O)P(OC)OC
InChIInChI=1S/C6H13N2O3P/c1-5(9)6(8-7-2)12(10-3)11-4/h7H,1-4H3/b8-6+
InChIKeyBDUWRFOIKYEDOH-SOFGYWHQSA-N
XLogP0.71
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 50.71
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-dimethoxyphosphanyl-1-(methylhydrazinylidene)propan-2-one?
The IUPAC name of (1E)-1-dimethoxyphosphanyl-1-(methylhydrazinylidene)propan-2-one (CID 129091703) is (1E)-1-dimethoxyphosphanyl-1-(methylhydrazinylidene)propan-2-one.
What is the SMILES notation for (1E)-1-dimethoxyphosphanyl-1-(methylhydrazinylidene)propan-2-one?
The canonical SMILES for (1E)-1-dimethoxyphosphanyl-1-(methylhydrazinylidene)propan-2-one is CN/N=C(\C(C)=O)P(OC)OC.
What is the InChIKey of (1E)-1-dimethoxyphosphanyl-1-(methylhydrazinylidene)propan-2-one?
The InChIKey is BDUWRFOIKYEDOH-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H13N2O3P/c1-5(9)6(8-7-2)12(10-3)11-4/h7H,1-4H3/b8-6+.
What are the key properties of (1E)-1-dimethoxyphosphanyl-1-(methylhydrazinylidene)propan-2-one?
(1E)-1-dimethoxyphosphanyl-1-(methylhydrazinylidene)propan-2-one has a molecular weight of 192.16 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-dimethoxyphosphanyl-1-(methylhydrazinylidene)propan-2-one is sourced from PubChem (CID 129091703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).