dipotassium;(Z)-4-hydrazinyl-4-oxobut-2-enoic acid;sulfonatooxy sulfate

C4H6K2N2O11S2 — CID 174816978

IUPACdipotassium;(Z)-4-hydrazinyl-4-oxobut-2-enoic acid;sulfonatooxy sulfate
SMILESNNC(=O)/C=C\C(=O)O.O=S(=O)([O-])OOS(=O)(=O)[O-].[K+].[K+]
InChIInChI=1S/C4H6N2O3.2K.H2O8S2/c5-6-3(7)1-2-4(8)9;;;1-9(2,3)7-8-10(4,5)6/h1-2H,5H2,(H,6,7)(H,8,9);;;(H,1,2,3)(H,4,5,6)/q;2*+1;/p-2/b2-1-;;;
InChIKeyVKTNWDZTPBBRRW-GRHBHMESSA-L
MW400.43 g/mol
LogP-9.52
Rot. Bonds5

About dipotassium;(Z)-4-hydrazinyl-4-oxobut-2-enoic acid;sulfonatooxy sulfate

dipotassium;(Z)-4-hydrazinyl-4-oxobut-2-enoic acid;sulfonatooxy sulfate (PubChem CID 174816978) has the molecular formula C4H6K2N2O11S2 and a molecular weight of 400.43 g/mol. Its IUPAC name is dipotassium;(Z)-4-hydrazinyl-4-oxobut-2-enoic acid;sulfonatooxy sulfate.

Molecular Properties

Compound Namedipotassium;(Z)-4-hydrazinyl-4-oxobut-2-enoic acid;sulfonatooxy sulfate
PubChem CID174816978
Molecular FormulaC4H6K2N2O11S2
Molecular Weight400.43 g/mol
Exact Mass399.87
IUPAC Namedipotassium;(Z)-4-hydrazinyl-4-oxobut-2-enoic acid;sulfonatooxy sulfate
SMILESNNC(=O)/C=C\C(=O)O.O=S(=O)([O-])OOS(=O)(=O)[O-].[K+].[K+]
InChIInChI=1S/C4H6N2O3.2K.H2O8S2/c5-6-3(7)1-2-4(8)9;;;1-9(2,3)7-8-10(4,5)6/h1-2H,5H2,(H,6,7)(H,8,9);;;(H,1,2,3)(H,4,5,6)/q;2*+1;/p-2/b2-1-;;;
InChIKeyVKTNWDZTPBBRRW-GRHBHMESSA-L
XLogP-9.52
TPSA225.28 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 5-9.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

potassium (Z)-4-hydrazinyl-4-oxobut-2-enoate
CID 23684669
dipotassium;sulfonatooxy sulfate
CID 516926
N-[dimethyl(oxido)-λ4-sulfanyl]methanesulfonamide;(Z)-4-(methylamino)-4-oxobut-2-enoic acid
CID 91022274
3,6-dichloropyridazine;(Z)-4-hydrazinyl-4-oxobut-2-enoic acid
CID 159829853
(2Z,4Z)-hexa-2,4-dienedihydrazide
CID 88838427
(Z)-4-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]ethylamino]-4-oxobut-2-enoic acid
CID 11107943
bis((E)-but-2-enedioic acid);hydrazine
CID 174490734
CID 172758892
CID 172758892
(E)-3-aminoprop-2-enehydrazide
CID 89046550
(E)-4-(hydroxyamino)-4-oxobut-2-enoic acid
CID 5478306
4-(carboxyamino)-4-oxobut-2-enoic acid
CID 152778662
(Z)-4-(ethylsulfonylamino)-4-oxobut-2-enoic acid
CID 138490263

Frequently Asked Questions

What is the IUPAC name of dipotassium;(Z)-4-hydrazinyl-4-oxobut-2-enoic acid;sulfonatooxy sulfate?
The IUPAC name of dipotassium;(Z)-4-hydrazinyl-4-oxobut-2-enoic acid;sulfonatooxy sulfate (CID 174816978) is dipotassium;(Z)-4-hydrazinyl-4-oxobut-2-enoic acid;sulfonatooxy sulfate.
What is the SMILES notation for dipotassium;(Z)-4-hydrazinyl-4-oxobut-2-enoic acid;sulfonatooxy sulfate?
The canonical SMILES for dipotassium;(Z)-4-hydrazinyl-4-oxobut-2-enoic acid;sulfonatooxy sulfate is NNC(=O)/C=C\C(=O)O.O=S(=O)([O-])OOS(=O)(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;(Z)-4-hydrazinyl-4-oxobut-2-enoic acid;sulfonatooxy sulfate?
The InChIKey is VKTNWDZTPBBRRW-GRHBHMESSA-L. The full InChI is InChI=1S/C4H6N2O3.2K.H2O8S2/c5-6-3(7)1-2-4(8)9;;;1-9(2,3)7-8-10(4,5)6/h1-2H,5H2,(H,6,7)(H,8,9);;;(H,1,2,3)(H,4,5,6)/q;2*+1;/p-2/b2-1-;;;.
What are the key properties of dipotassium;(Z)-4-hydrazinyl-4-oxobut-2-enoic acid;sulfonatooxy sulfate?
dipotassium;(Z)-4-hydrazinyl-4-oxobut-2-enoic acid;sulfonatooxy sulfate has a molecular weight of 400.43 g/mol, XLogP of -9.52, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;(Z)-4-hydrazinyl-4-oxobut-2-enoic acid;sulfonatooxy sulfate is sourced from PubChem (CID 174816978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).