potassium;(Z)-but-2-enedioate;tetramethylazanium

C8H14KNO4 — CID 87375053

IUPACpotassium;(Z)-but-2-enedioate;tetramethylazanium
SMILESC[N+](C)(C)C.O=C([O-])/C=C\C(=O)[O-].[K+]
InChIInChI=1S/C4H12N.C4H4O4.K/c1-5(2,3)4;5-3(6)1-2-4(7)8;/h1-4H3;1-2H,(H,5,6)(H,7,8);/q+1;;+1/p-2/b;2-1-;
InChIKeyXIMYBJJJQRMADR-FJOGWHKWSA-L
MW227.30 g/mol
LogP-5.63
Rot. Bonds2

About potassium;(Z)-but-2-enedioate;tetramethylazanium

potassium;(Z)-but-2-enedioate;tetramethylazanium (PubChem CID 87375053) has the molecular formula C8H14KNO4 and a molecular weight of 227.30 g/mol. Its IUPAC name is potassium;(Z)-but-2-enedioate;tetramethylazanium.

Molecular Properties

Compound Namepotassium;(Z)-but-2-enedioate;tetramethylazanium
PubChem CID87375053
Molecular FormulaC8H14KNO4
Molecular Weight227.30 g/mol
Exact Mass227.06
IUPAC Namepotassium;(Z)-but-2-enedioate;tetramethylazanium
SMILESC[N+](C)(C)C.O=C([O-])/C=C\C(=O)[O-].[K+]
InChIInChI=1S/C4H12N.C4H4O4.K/c1-5(2,3)4;5-3(6)1-2-4(7)8;/h1-4H3;1-2H,(H,5,6)(H,7,8);/q+1;;+1/p-2/b;2-1-;
InChIKeyXIMYBJJJQRMADR-FJOGWHKWSA-L
XLogP-5.63
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 5-5.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(E)-but-2-enedioate
CID 5460307
but-2-enedioate;manganese(2+)
CID 57354505
bis((Z)-but-2-enedioate);copper
CID 172736667
disodium;(Z)-but-2-enedioate
CID 6364608
disodium;(2,3-13C2)but-2-enedioate
CID 118797082
beryllium (Z)-but-2-enedioate
CID 140577680
tris((E)-but-2-enedioate);bis(ytterbium(3+))
CID 158085240
dicalcium bis((Z)-but-2-enedioate)
CID 160931000
tris((Z)-but-2-enedioate);bis(cobalt(3+))
CID 158794595
dizinc bis(but-2-enedioate)
CID 173264948
tris((Z)-but-2-enedioate);neodymium
CID 139595444
(Z)-but-2-enedioate;bis(triethyl(methyl)azanium)
CID 86743662

Frequently Asked Questions

What is the IUPAC name of potassium;(Z)-but-2-enedioate;tetramethylazanium?
The IUPAC name of potassium;(Z)-but-2-enedioate;tetramethylazanium (CID 87375053) is potassium;(Z)-but-2-enedioate;tetramethylazanium.
What is the SMILES notation for potassium;(Z)-but-2-enedioate;tetramethylazanium?
The canonical SMILES for potassium;(Z)-but-2-enedioate;tetramethylazanium is C[N+](C)(C)C.O=C([O-])/C=C\C(=O)[O-].[K+].
What is the InChIKey of potassium;(Z)-but-2-enedioate;tetramethylazanium?
The InChIKey is XIMYBJJJQRMADR-FJOGWHKWSA-L. The full InChI is InChI=1S/C4H12N.C4H4O4.K/c1-5(2,3)4;5-3(6)1-2-4(7)8;/h1-4H3;1-2H,(H,5,6)(H,7,8);/q+1;;+1/p-2/b;2-1-;.
What are the key properties of potassium;(Z)-but-2-enedioate;tetramethylazanium?
potassium;(Z)-but-2-enedioate;tetramethylazanium has a molecular weight of 227.30 g/mol, XLogP of -5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(Z)-but-2-enedioate;tetramethylazanium is sourced from PubChem (CID 87375053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).