phosphono dihydrogen phosphate;prop-2-enamide

C3H9NO8P2 — CID 174924052

IUPACphosphono dihydrogen phosphate;prop-2-enamide
SMILESC=CC(N)=O.O=P(O)(O)OP(=O)(O)O
InChIInChI=1S/C3H5NO.H4O7P2/c1-2-3(4)5;1-8(2,3)7-9(4,5)6/h2H,1H2,(H2,4,5);(H2,1,2,3)(H2,4,5,6)
InChIKeyCYHYJDYFPOMWOY-UHFFFAOYSA-N
MW249.05 g/mol
LogP-1.15
Rot. Bonds3

About phosphono dihydrogen phosphate;prop-2-enamide

phosphono dihydrogen phosphate;prop-2-enamide (PubChem CID 174924052) has the molecular formula C3H9NO8P2 and a molecular weight of 249.05 g/mol. Its IUPAC name is phosphono dihydrogen phosphate;prop-2-enamide.

Molecular Properties

Compound Namephosphono dihydrogen phosphate;prop-2-enamide
PubChem CID174924052
Molecular FormulaC3H9NO8P2
Molecular Weight249.05 g/mol
Exact Mass248.98
IUPAC Namephosphono dihydrogen phosphate;prop-2-enamide
SMILESC=CC(N)=O.O=P(O)(O)OP(=O)(O)O
InChIInChI=1S/C3H5NO.H4O7P2/c1-2-3(4)5;1-8(2,3)7-9(4,5)6/h2H,1H2,(H2,4,5);(H2,1,2,3)(H2,4,5,6)
InChIKeyCYHYJDYFPOMWOY-UHFFFAOYSA-N
XLogP-1.15
TPSA167.38 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 5-1.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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

phosphoric acid;bis(prop-2-enamide)
CID 175358091
prop-2-enamide;ruthenium
CID 90254548
ethenylphosphonic acid;prop-2-enamide
CID 18401329
CID 118976628
CID 118976628
prop-2-enamide iodide
CID 19796963
trimagnesium;prop-2-enamide;diphosphate
CID 175566813
butane;phosphoric acid;prop-2-enamide
CID 159316874
molecular hydrogen;prop-2-enamide
CID 156651584
CID 175387410
CID 175387410
magnesium;prop-2-enamide;dihydroxide
CID 175298952
potassium;prop-2-enamide;chloride
CID 161245795
phosphono dihydrogen phosphate;silver
CID 131872547

Frequently Asked Questions

What is the IUPAC name of phosphono dihydrogen phosphate;prop-2-enamide?
The IUPAC name of phosphono dihydrogen phosphate;prop-2-enamide (CID 174924052) is phosphono dihydrogen phosphate;prop-2-enamide.
What is the SMILES notation for phosphono dihydrogen phosphate;prop-2-enamide?
The canonical SMILES for phosphono dihydrogen phosphate;prop-2-enamide is C=CC(N)=O.O=P(O)(O)OP(=O)(O)O.
What is the InChIKey of phosphono dihydrogen phosphate;prop-2-enamide?
The InChIKey is CYHYJDYFPOMWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.H4O7P2/c1-2-3(4)5;1-8(2,3)7-9(4,5)6/h2H,1H2,(H2,4,5);(H2,1,2,3)(H2,4,5,6).
What are the key properties of phosphono dihydrogen phosphate;prop-2-enamide?
phosphono dihydrogen phosphate;prop-2-enamide has a molecular weight of 249.05 g/mol, XLogP of -1.15, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono dihydrogen phosphate;prop-2-enamide is sourced from PubChem (CID 174924052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).