potassium (Z)-4-hydrazinyl-4-oxobut-2-enoate

C4H5KN2O3 — CID 23684669

IUPACpotassium (Z)-4-hydrazinyl-4-oxobut-2-enoate
SMILESNNC(=O)/C=C\C(=O)[O-].[K+]
InChIInChI=1S/C4H6N2O3.K/c5-6-3(7)1-2-4(8)9;/h1-2H,5H2,(H,6,7)(H,8,9);/q;+1/p-1/b2-1-;
InChIKeyGUXIZAVQQBQIJF-ODZAUARKSA-M
MW168.19 g/mol
LogP-5.71
Rot. Bonds2

About potassium (Z)-4-hydrazinyl-4-oxobut-2-enoate

potassium (Z)-4-hydrazinyl-4-oxobut-2-enoate (PubChem CID 23684669) has the molecular formula C4H5KN2O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is potassium (Z)-4-hydrazinyl-4-oxobut-2-enoate.

Molecular Properties

Compound Namepotassium (Z)-4-hydrazinyl-4-oxobut-2-enoate
PubChem CID23684669
Molecular FormulaC4H5KN2O3
Molecular Weight168.19 g/mol
Exact Mass167.99
IUPAC Namepotassium (Z)-4-hydrazinyl-4-oxobut-2-enoate
SMILESNNC(=O)/C=C\C(=O)[O-].[K+]
InChIInChI=1S/C4H6N2O3.K/c5-6-3(7)1-2-4(8)9;/h1-2H,5H2,(H,6,7)(H,8,9);/q;+1/p-1/b2-1-;
InChIKeyGUXIZAVQQBQIJF-ODZAUARKSA-M
XLogP-5.71
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 5-5.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(E)-but-2-enedioate
CID 5460307
(2Z,4Z)-hexa-2,4-dienedihydrazide
CID 88838427
4-(methylamino)-4-oxobut-2-enoate
CID 6992861
(E)-but-2-enedioate carbamate
CID 19782510
bis((Z)-but-2-enedioate);copper
CID 172736667
disodium;(Z)-but-2-enedioate
CID 6364608
but-2-enedioate;manganese(2+)
CID 57354505
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
dizinc bis(but-2-enedioate)
CID 173264948
tris((Z)-but-2-enedioate);bis(cobalt(3+))
CID 158794595

Frequently Asked Questions

What is the IUPAC name of potassium (Z)-4-hydrazinyl-4-oxobut-2-enoate?
The IUPAC name of potassium (Z)-4-hydrazinyl-4-oxobut-2-enoate (CID 23684669) is potassium (Z)-4-hydrazinyl-4-oxobut-2-enoate.
What is the SMILES notation for potassium (Z)-4-hydrazinyl-4-oxobut-2-enoate?
The canonical SMILES for potassium (Z)-4-hydrazinyl-4-oxobut-2-enoate is NNC(=O)/C=C\C(=O)[O-].[K+].
What is the InChIKey of potassium (Z)-4-hydrazinyl-4-oxobut-2-enoate?
The InChIKey is GUXIZAVQQBQIJF-ODZAUARKSA-M. The full InChI is InChI=1S/C4H6N2O3.K/c5-6-3(7)1-2-4(8)9;/h1-2H,5H2,(H,6,7)(H,8,9);/q;+1/p-1/b2-1-;.
What are the key properties of potassium (Z)-4-hydrazinyl-4-oxobut-2-enoate?
potassium (Z)-4-hydrazinyl-4-oxobut-2-enoate has a molecular weight of 168.19 g/mol, XLogP of -5.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (Z)-4-hydrazinyl-4-oxobut-2-enoate is sourced from PubChem (CID 23684669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).