(E)-but-2-enedioate;iron(2+)

C4H2FeO4 — CID 6433164

IUPAC(E)-but-2-enedioate;iron(2+)
SMILESO=C([O-])/C=C/C(=O)[O-].[Fe+2]
InChIInChI=1S/C4H4O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2/b2-1+;
InChIKeyPMVSDNDAUGGCCE-TYYBGVCCSA-L
MW169.90 g/mol
LogP-2.96
Rot. Bonds2

About (E)-but-2-enedioate;iron(2+)

(E)-but-2-enedioate;iron(2+) (PubChem CID 6433164) has the molecular formula C4H2FeO4 and a molecular weight of 169.90 g/mol. Its IUPAC name is (E)-but-2-enedioate;iron(2+).

Molecular Properties

Compound Name(E)-but-2-enedioate;iron(2+)
PubChem CID6433164
Molecular FormulaC4H2FeO4
Molecular Weight169.90 g/mol
Exact Mass169.93
IUPAC Name(E)-but-2-enedioate;iron(2+)
SMILESO=C([O-])/C=C/C(=O)[O-].[Fe+2]
InChIInChI=1S/C4H4O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2/b2-1+;
InChIKeyPMVSDNDAUGGCCE-TYYBGVCCSA-L
XLogP-2.96
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.90
LogP ≤ 5-2.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enedioate;iron(2+)?
The IUPAC name of (E)-but-2-enedioate;iron(2+) (CID 6433164) is (E)-but-2-enedioate;iron(2+).
What is the SMILES notation for (E)-but-2-enedioate;iron(2+)?
The canonical SMILES for (E)-but-2-enedioate;iron(2+) is O=C([O-])/C=C/C(=O)[O-].[Fe+2].
What is the InChIKey of (E)-but-2-enedioate;iron(2+)?
The InChIKey is PMVSDNDAUGGCCE-TYYBGVCCSA-L. The full InChI is InChI=1S/C4H4O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2/b2-1+;.
What are the key properties of (E)-but-2-enedioate;iron(2+)?
(E)-but-2-enedioate;iron(2+) has a molecular weight of 169.90 g/mol, XLogP of -2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioate;iron(2+) is sourced from PubChem (CID 6433164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).