ethenylphosphonic acid;prop-2-enamide

C5H10NO4P — CID 18401329

IUPACethenylphosphonic acid;prop-2-enamide
SMILESC=CC(N)=O.C=CP(=O)(O)O
InChIInChI=1S/C3H5NO.C2H5O3P/c1-2-3(4)5;1-2-6(3,4)5/h2H,1H2,(H2,4,5);2H,1H2,(H2,3,4,5)
InChIKeyKZZWSGLYJQRFAJ-UHFFFAOYSA-N
MW179.11 g/mol
LogP-0.03
Rot. Bonds2

About ethenylphosphonic acid;prop-2-enamide

ethenylphosphonic acid;prop-2-enamide (PubChem CID 18401329) has the molecular formula C5H10NO4P and a molecular weight of 179.11 g/mol. Its IUPAC name is ethenylphosphonic acid;prop-2-enamide.

Molecular Properties

Compound Nameethenylphosphonic acid;prop-2-enamide
PubChem CID18401329
Molecular FormulaC5H10NO4P
Molecular Weight179.11 g/mol
Exact Mass179.03
IUPAC Nameethenylphosphonic acid;prop-2-enamide
SMILESC=CC(N)=O.C=CP(=O)(O)O
InChIInChI=1S/C3H5NO.C2H5O3P/c1-2-3(4)5;1-2-6(3,4)5/h2H,1H2,(H2,4,5);2H,1H2,(H2,3,4,5)
InChIKeyKZZWSGLYJQRFAJ-UHFFFAOYSA-N
XLogP-0.03
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.11
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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
phosphono dihydrogen phosphate;prop-2-enamide
CID 174924052
prop-2-enamide;ruthenium
CID 90254548
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
magnesium;prop-2-enamide;dihydroxide
CID 175298952
CID 175387410
CID 175387410
potassium;prop-2-enamide;chloride
CID 161245795
ethene-1,1-diol;prop-2-enamide
CID 174658864

Frequently Asked Questions

What is the IUPAC name of ethenylphosphonic acid;prop-2-enamide?
The IUPAC name of ethenylphosphonic acid;prop-2-enamide (CID 18401329) is ethenylphosphonic acid;prop-2-enamide.
What is the SMILES notation for ethenylphosphonic acid;prop-2-enamide?
The canonical SMILES for ethenylphosphonic acid;prop-2-enamide is C=CC(N)=O.C=CP(=O)(O)O.
What is the InChIKey of ethenylphosphonic acid;prop-2-enamide?
The InChIKey is KZZWSGLYJQRFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.C2H5O3P/c1-2-3(4)5;1-2-6(3,4)5/h2H,1H2,(H2,4,5);2H,1H2,(H2,3,4,5).
What are the key properties of ethenylphosphonic acid;prop-2-enamide?
ethenylphosphonic acid;prop-2-enamide has a molecular weight of 179.11 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylphosphonic acid;prop-2-enamide is sourced from PubChem (CID 18401329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).