(Z)-but-2-enedihydrazide;2-(2-hydroxyethylamino)ethanol

C8H19N5O4 — CID 23618454

IUPAC(Z)-but-2-enedihydrazide;2-(2-hydroxyethylamino)ethanol
SMILESNNC(=O)/C=C\C(=O)NN.OCCNCCO
InChIInChI=1S/C4H8N4O2.C4H11NO2/c5-7-3(9)1-2-4(10)8-6;6-3-1-5-2-4-7/h1-2H,5-6H2,(H,7,9)(H,8,10);5-7H,1-4H2/b2-1-;
InChIKeyMUFJDGMYAKMYPP-ODZAUARKSA-N
MW249.27 g/mol
LogP-3.92
Rot. Bonds6

About (Z)-but-2-enedihydrazide;2-(2-hydroxyethylamino)ethanol

(Z)-but-2-enedihydrazide;2-(2-hydroxyethylamino)ethanol (PubChem CID 23618454) has the molecular formula C8H19N5O4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (Z)-but-2-enedihydrazide;2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name(Z)-but-2-enedihydrazide;2-(2-hydroxyethylamino)ethanol
PubChem CID23618454
Molecular FormulaC8H19N5O4
Molecular Weight249.27 g/mol
Exact Mass249.14
IUPAC Name(Z)-but-2-enedihydrazide;2-(2-hydroxyethylamino)ethanol
SMILESNNC(=O)/C=C\C(=O)NN.OCCNCCO
InChIInChI=1S/C4H8N4O2.C4H11NO2/c5-7-3(9)1-2-4(10)8-6;6-3-1-5-2-4-7/h1-2H,5-6H2,(H,7,9)(H,8,10);5-7H,1-4H2/b2-1-;
InChIKeyMUFJDGMYAKMYPP-ODZAUARKSA-N
XLogP-3.92
TPSA162.73 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.27
LogP ≤ 5-3.92
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedihydrazide;2-(2-hydroxyethylamino)ethanol?
The IUPAC name of (Z)-but-2-enedihydrazide;2-(2-hydroxyethylamino)ethanol (CID 23618454) is (Z)-but-2-enedihydrazide;2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for (Z)-but-2-enedihydrazide;2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for (Z)-but-2-enedihydrazide;2-(2-hydroxyethylamino)ethanol is NNC(=O)/C=C\C(=O)NN.OCCNCCO.
What is the InChIKey of (Z)-but-2-enedihydrazide;2-(2-hydroxyethylamino)ethanol?
The InChIKey is MUFJDGMYAKMYPP-ODZAUARKSA-N. The full InChI is InChI=1S/C4H8N4O2.C4H11NO2/c5-7-3(9)1-2-4(10)8-6;6-3-1-5-2-4-7/h1-2H,5-6H2,(H,7,9)(H,8,10);5-7H,1-4H2/b2-1-;.
What are the key properties of (Z)-but-2-enedihydrazide;2-(2-hydroxyethylamino)ethanol?
(Z)-but-2-enedihydrazide;2-(2-hydroxyethylamino)ethanol has a molecular weight of 249.27 g/mol, XLogP of -3.92, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedihydrazide;2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 23618454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).