trimagnesium;prop-2-enamide;diphosphate

C3H5Mg3NO9P2 — CID 175566813

IUPACtrimagnesium;prop-2-enamide;diphosphate
SMILESC=CC(N)=O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/C3H5NO.3Mg.2H3O4P/c1-2-3(4)5;;;;2*1-5(2,3)4/h2H,1H2,(H2,4,5);;;;2*(H3,1,2,3,4)/q;3*+2;;/p-6
InChIKeyBOXYJBSXWYTERU-UHFFFAOYSA-H
MW333.93 g/mol
LogP-7.13
Rot. Bonds1

About trimagnesium;prop-2-enamide;diphosphate

trimagnesium;prop-2-enamide;diphosphate (PubChem CID 175566813) has the molecular formula C3H5Mg3NO9P2 and a molecular weight of 333.93 g/mol. Its IUPAC name is trimagnesium;prop-2-enamide;diphosphate.

Molecular Properties

Compound Nametrimagnesium;prop-2-enamide;diphosphate
PubChem CID175566813
Molecular FormulaC3H5Mg3NO9P2
Molecular Weight333.93 g/mol
Exact Mass332.90
IUPAC Nametrimagnesium;prop-2-enamide;diphosphate
SMILESC=CC(N)=O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/C3H5NO.3Mg.2H3O4P/c1-2-3(4)5;;;;2*1-5(2,3)4/h2H,1H2,(H2,4,5);;;;2*(H3,1,2,3,4)/q;3*+2;;/p-6
InChIKeyBOXYJBSXWYTERU-UHFFFAOYSA-H
XLogP-7.13
TPSA215.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.93
LogP ≤ 5-7.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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
magnesium;prop-2-enamide;dihydroxide
CID 175298952
prop-2-enamide;ruthenium
CID 90254548
CID 118976628
CID 118976628
prop-2-enamide iodide
CID 19796963
ethenylphosphonic acid;prop-2-enamide
CID 18401329
molecular hydrogen;prop-2-enamide
CID 156651584
CID 175387410
CID 175387410
potassium;prop-2-enamide;chloride
CID 161245795
disodium;bis(prop-2-enamide);bis(prop-2-enoate)
CID 173417744
phosphono dihydrogen phosphate;prop-2-enamide
CID 174924052
ethene-1,1-diol;prop-2-enamide
CID 174658864

Frequently Asked Questions

What is the IUPAC name of trimagnesium;prop-2-enamide;diphosphate?
The IUPAC name of trimagnesium;prop-2-enamide;diphosphate (CID 175566813) is trimagnesium;prop-2-enamide;diphosphate.
What is the SMILES notation for trimagnesium;prop-2-enamide;diphosphate?
The canonical SMILES for trimagnesium;prop-2-enamide;diphosphate is C=CC(N)=O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of trimagnesium;prop-2-enamide;diphosphate?
The InChIKey is BOXYJBSXWYTERU-UHFFFAOYSA-H. The full InChI is InChI=1S/C3H5NO.3Mg.2H3O4P/c1-2-3(4)5;;;;2*1-5(2,3)4/h2H,1H2,(H2,4,5);;;;2*(H3,1,2,3,4)/q;3*+2;;/p-6.
What are the key properties of trimagnesium;prop-2-enamide;diphosphate?
trimagnesium;prop-2-enamide;diphosphate has a molecular weight of 333.93 g/mol, XLogP of -7.13, 1 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium;prop-2-enamide;diphosphate is sourced from PubChem (CID 175566813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).