(Z)-but-2-enedioic acid;ethene;manganese

C6H8MnO4 — CID 54606396

IUPAC(Z)-but-2-enedioic acid;ethene;manganese
SMILESC=C.O=C(O)/C=C\C(=O)O.[Mn]
InChIInChI=1S/C4H4O4.C2H4.Mn/c5-3(6)1-2-4(7)8;1-2;/h1-2H,(H,5,6)(H,7,8);1-2H2;/b2-1-;;
InChIKeyNAMTTZIYKDNVFJ-UAIGNFCESA-N
MW199.06 g/mol
LogP0.51
Rot. Bonds2

About (Z)-but-2-enedioic acid;ethene;manganese

(Z)-but-2-enedioic acid;ethene;manganese (PubChem CID 54606396) has the molecular formula C6H8MnO4 and a molecular weight of 199.06 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;ethene;manganese.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;ethene;manganese
PubChem CID54606396
Molecular FormulaC6H8MnO4
Molecular Weight199.06 g/mol
Exact Mass198.98
IUPAC Name(Z)-but-2-enedioic acid;ethene;manganese
SMILESC=C.O=C(O)/C=C\C(=O)O.[Mn]
InChIInChI=1S/C4H4O4.C2H4.Mn/c5-3(6)1-2-4(7)8;1-2;/h1-2H,(H,5,6)(H,7,8);1-2H2;/b2-1-;;
InChIKeyNAMTTZIYKDNVFJ-UAIGNFCESA-N
XLogP0.51
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.06
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;(Z)-but-2-enedioic acid;ethene
CID 54602803
(Z)-but-2-enedioic acid;manganese
CID 87121555
(E)-but-2-enedioic acid;formaldehyde
CID 88669172
(Z)-but-2-enedioic acid;copper(1+)
CID 139263227
(E)-but-2-enedioic acid;iron
CID 5478817
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
but-2-enedioic acid;dihydrate
CID 76541248
azane;bis((E)-but-2-enedioic acid)
CID 87996706

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;ethene;manganese?
The IUPAC name of (Z)-but-2-enedioic acid;ethene;manganese (CID 54606396) is (Z)-but-2-enedioic acid;ethene;manganese.
What is the SMILES notation for (Z)-but-2-enedioic acid;ethene;manganese?
The canonical SMILES for (Z)-but-2-enedioic acid;ethene;manganese is C=C.O=C(O)/C=C\C(=O)O.[Mn].
What is the InChIKey of (Z)-but-2-enedioic acid;ethene;manganese?
The InChIKey is NAMTTZIYKDNVFJ-UAIGNFCESA-N. The full InChI is InChI=1S/C4H4O4.C2H4.Mn/c5-3(6)1-2-4(7)8;1-2;/h1-2H,(H,5,6)(H,7,8);1-2H2;/b2-1-;;.
What are the key properties of (Z)-but-2-enedioic acid;ethene;manganese?
(Z)-but-2-enedioic acid;ethene;manganese has a molecular weight of 199.06 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;ethene;manganese is sourced from PubChem (CID 54606396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).