2-aminoethanol;(Z)-but-2-enedihydrazide

C6H15N5O3 — CID 20841575

IUPAC2-aminoethanol;(Z)-but-2-enedihydrazide
SMILESNCCO.NNC(=O)/C=C\C(=O)NN
InChIInChI=1S/C4H8N4O2.C2H7NO/c5-7-3(9)1-2-4(10)8-6;3-1-2-4/h1-2H,5-6H2,(H,7,9)(H,8,10);4H,1-3H2/b2-1-;
InChIKeyUVWVYURQOQQJKH-ODZAUARKSA-N
MW205.22 g/mol
LogP-3.54
Rot. Bonds3

About 2-aminoethanol;(Z)-but-2-enedihydrazide

2-aminoethanol;(Z)-but-2-enedihydrazide (PubChem CID 20841575) has the molecular formula C6H15N5O3 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-aminoethanol;(Z)-but-2-enedihydrazide.

Molecular Properties

Compound Name2-aminoethanol;(Z)-but-2-enedihydrazide
PubChem CID20841575
Molecular FormulaC6H15N5O3
Molecular Weight205.22 g/mol
Exact Mass205.12
IUPAC Name2-aminoethanol;(Z)-but-2-enedihydrazide
SMILESNCCO.NNC(=O)/C=C\C(=O)NN
InChIInChI=1S/C4H8N4O2.C2H7NO/c5-7-3(9)1-2-4(10)8-6;3-1-2-4/h1-2H,5-6H2,(H,7,9)(H,8,10);4H,1-3H2/b2-1-;
InChIKeyUVWVYURQOQQJKH-ODZAUARKSA-N
XLogP-3.54
TPSA156.49 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500205.22
LogP ≤ 5-3.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;(Z)-but-2-enedihydrazide?
The IUPAC name of 2-aminoethanol;(Z)-but-2-enedihydrazide (CID 20841575) is 2-aminoethanol;(Z)-but-2-enedihydrazide.
What is the SMILES notation for 2-aminoethanol;(Z)-but-2-enedihydrazide?
The canonical SMILES for 2-aminoethanol;(Z)-but-2-enedihydrazide is NCCO.NNC(=O)/C=C\C(=O)NN.
What is the InChIKey of 2-aminoethanol;(Z)-but-2-enedihydrazide?
The InChIKey is UVWVYURQOQQJKH-ODZAUARKSA-N. The full InChI is InChI=1S/C4H8N4O2.C2H7NO/c5-7-3(9)1-2-4(10)8-6;3-1-2-4/h1-2H,5-6H2,(H,7,9)(H,8,10);4H,1-3H2/b2-1-;.
What are the key properties of 2-aminoethanol;(Z)-but-2-enedihydrazide?
2-aminoethanol;(Z)-but-2-enedihydrazide has a molecular weight of 205.22 g/mol, XLogP of -3.54, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;(Z)-but-2-enedihydrazide is sourced from PubChem (CID 20841575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).