azane;(Z)-but-2-enedioic acid;zirconium

C4H7NO4Zr — CID 87185772

IUPACazane;(Z)-but-2-enedioic acid;zirconium
SMILESN.O=C(O)/C=C\C(=O)O.[Zr]
InChIInChI=1S/C4H4O4.H3N.Zr/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);1H3;/b2-1-;;
InChIKeyAPFMYAOXLTTZFL-UAIGNFCESA-N
MW224.33 g/mol
LogP-0.13
Rot. Bonds2

About azane;(Z)-but-2-enedioic acid;zirconium

azane;(Z)-but-2-enedioic acid;zirconium (PubChem CID 87185772) has the molecular formula C4H7NO4Zr and a molecular weight of 224.33 g/mol. Its IUPAC name is azane;(Z)-but-2-enedioic acid;zirconium.

Molecular Properties

Compound Nameazane;(Z)-but-2-enedioic acid;zirconium
PubChem CID87185772
Molecular FormulaC4H7NO4Zr
Molecular Weight224.33 g/mol
Exact Mass222.94
IUPAC Nameazane;(Z)-but-2-enedioic acid;zirconium
SMILESN.O=C(O)/C=C\C(=O)O.[Zr]
InChIInChI=1S/C4H4O4.H3N.Zr/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);1H3;/b2-1-;;
InChIKeyAPFMYAOXLTTZFL-UAIGNFCESA-N
XLogP-0.13
TPSA109.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;bis((E)-but-2-enedioic acid)
CID 87996706
(Z)-but-2-enedioic acid;gold
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but-2-enedioic acid;dihydrate
CID 76541248
(Z)-but-2-enedioic acid;copper(1+)
CID 139263227
(E)-but-2-enedioic acid;iron
CID 5478817
(Z)-but-2-enedioic acid;manganese
CID 87121555
CID 87073039
CID 87073039
(Z)-but-2-enedioic acid;nickel
CID 24883656
tris(but-2-enedioic acid);hydrate
CID 173409563
(Z)-but-2-enedioic acid;hydrate
CID 86620054
CID 76552400
CID 76552400
(Z)-but-2-enedioic acid;neodymium
CID 87072249

Frequently Asked Questions

What is the IUPAC name of azane;(Z)-but-2-enedioic acid;zirconium?
The IUPAC name of azane;(Z)-but-2-enedioic acid;zirconium (CID 87185772) is azane;(Z)-but-2-enedioic acid;zirconium.
What is the SMILES notation for azane;(Z)-but-2-enedioic acid;zirconium?
The canonical SMILES for azane;(Z)-but-2-enedioic acid;zirconium is N.O=C(O)/C=C\C(=O)O.[Zr].
What is the InChIKey of azane;(Z)-but-2-enedioic acid;zirconium?
The InChIKey is APFMYAOXLTTZFL-UAIGNFCESA-N. The full InChI is InChI=1S/C4H4O4.H3N.Zr/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);1H3;/b2-1-;;.
What are the key properties of azane;(Z)-but-2-enedioic acid;zirconium?
azane;(Z)-but-2-enedioic acid;zirconium has a molecular weight of 224.33 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(Z)-but-2-enedioic acid;zirconium is sourced from PubChem (CID 87185772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).