N'-but-2-ynoyl-2-hydroxy-2-methylpropanehydrazide

C8H12N2O3 — CID 130676036

IUPACN'-but-2-ynoyl-2-hydroxy-2-methylpropanehydrazide
SMILESCC#CC(=O)NNC(=O)C(C)(C)O
InChIInChI=1S/C8H12N2O3/c1-4-5-6(11)9-10-7(12)8(2,3)13/h13H,1-3H3,(H,9,11)(H,10,12)
InChIKeyNISISFTXWUCQTL-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.07
Rot. Bonds1

About N'-but-2-ynoyl-2-hydroxy-2-methylpropanehydrazide

N'-but-2-ynoyl-2-hydroxy-2-methylpropanehydrazide (PubChem CID 130676036) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is N'-but-2-ynoyl-2-hydroxy-2-methylpropanehydrazide.

Molecular Properties

Compound NameN'-but-2-ynoyl-2-hydroxy-2-methylpropanehydrazide
PubChem CID130676036
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC NameN'-but-2-ynoyl-2-hydroxy-2-methylpropanehydrazide
SMILESCC#CC(=O)NNC(=O)C(C)(C)O
InChIInChI=1S/C8H12N2O3/c1-4-5-6(11)9-10-7(12)8(2,3)13/h13H,1-3H3,(H,9,11)(H,10,12)
InChIKeyNISISFTXWUCQTL-UHFFFAOYSA-N
XLogP-1.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N'-but-2-ynoyl-2-hydroxy-2-methylpropanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-but-2-ynoyl-2-hydroxy-2-methylpropanehydrazide?
The IUPAC name of N'-but-2-ynoyl-2-hydroxy-2-methylpropanehydrazide (CID 130676036) is N'-but-2-ynoyl-2-hydroxy-2-methylpropanehydrazide.
What is the SMILES notation for N'-but-2-ynoyl-2-hydroxy-2-methylpropanehydrazide?
The canonical SMILES for N'-but-2-ynoyl-2-hydroxy-2-methylpropanehydrazide is CC#CC(=O)NNC(=O)C(C)(C)O.
What is the InChIKey of N'-but-2-ynoyl-2-hydroxy-2-methylpropanehydrazide?
The InChIKey is NISISFTXWUCQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-4-5-6(11)9-10-7(12)8(2,3)13/h13H,1-3H3,(H,9,11)(H,10,12).
What are the key properties of N'-but-2-ynoyl-2-hydroxy-2-methylpropanehydrazide?
N'-but-2-ynoyl-2-hydroxy-2-methylpropanehydrazide has a molecular weight of 184.19 g/mol, XLogP of -1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-2-ynoyl-2-hydroxy-2-methylpropanehydrazide is sourced from PubChem (CID 130676036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).