phosphoric acid;bis(prop-2-enamide)

C6H13N2O6P — CID 175358091

IUPACphosphoric acid;bis(prop-2-enamide)
SMILESC=CC(N)=O.C=CC(N)=O.O=P(O)(O)O
InChIInChI=1S/2C3H5NO.H3O4P/c2*1-2-3(4)5;1-5(2,3)4/h2*2H,1H2,(H2,4,5);(H3,1,2,3,4)
InChIKeyCLPQAHVQPHTNBS-UHFFFAOYSA-N
MW240.15 g/mol
LogP-1.61
Rot. Bonds2

About phosphoric acid;bis(prop-2-enamide)

phosphoric acid;bis(prop-2-enamide) (PubChem CID 175358091) has the molecular formula C6H13N2O6P and a molecular weight of 240.15 g/mol. Its IUPAC name is phosphoric acid;bis(prop-2-enamide).

Molecular Properties

Compound Namephosphoric acid;bis(prop-2-enamide)
PubChem CID175358091
Molecular FormulaC6H13N2O6P
Molecular Weight240.15 g/mol
Exact Mass240.05
IUPAC Namephosphoric acid;bis(prop-2-enamide)
SMILESC=CC(N)=O.C=CC(N)=O.O=P(O)(O)O
InChIInChI=1S/2C3H5NO.H3O4P/c2*1-2-3(4)5;1-5(2,3)4/h2*2H,1H2,(H2,4,5);(H3,1,2,3,4)
InChIKeyCLPQAHVQPHTNBS-UHFFFAOYSA-N
XLogP-1.61
TPSA163.94 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.15
LogP ≤ 5-1.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethenylphosphonic acid;prop-2-enamide
CID 18401329
butane;phosphoric acid;prop-2-enamide
CID 159316874
phosphono dihydrogen phosphate;prop-2-enamide
CID 174924052
CID 118976628
CID 118976628
prop-2-enamide iodide
CID 19796963
prop-2-enamide;ruthenium
CID 90254548
trimagnesium;prop-2-enamide;diphosphate
CID 175566813
CID 175387410
CID 175387410
molecular hydrogen;prop-2-enamide
CID 156651584
magnesium;prop-2-enamide;dihydroxide
CID 175298952
potassium;prop-2-enamide;chloride
CID 161245795
methanamine;prop-2-enamide;hydrate
CID 174696935

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;bis(prop-2-enamide)?
The IUPAC name of phosphoric acid;bis(prop-2-enamide) (CID 175358091) is phosphoric acid;bis(prop-2-enamide).
What is the SMILES notation for phosphoric acid;bis(prop-2-enamide)?
The canonical SMILES for phosphoric acid;bis(prop-2-enamide) is C=CC(N)=O.C=CC(N)=O.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;bis(prop-2-enamide)?
The InChIKey is CLPQAHVQPHTNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H5NO.H3O4P/c2*1-2-3(4)5;1-5(2,3)4/h2*2H,1H2,(H2,4,5);(H3,1,2,3,4).
What are the key properties of phosphoric acid;bis(prop-2-enamide)?
phosphoric acid;bis(prop-2-enamide) has a molecular weight of 240.15 g/mol, XLogP of -1.61, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;bis(prop-2-enamide) is sourced from PubChem (CID 175358091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).