ethyl (3E)-3-(thiophene-2-carbonylhydrazinylidene)butanoate

C11H14N2O3S — CID 5370293

IUPACethyl (3E)-3-(thiophene-2-carbonylhydrazinylidene)butanoate
SMILESCCOC(=O)C/C(C)=N/NC(=O)c1cccs1
InChIInChI=1S/C11H14N2O3S/c1-3-16-10(14)7-8(2)12-13-11(15)9-5-4-6-17-9/h4-6H,3,7H2,1-2H3,(H,13,15)/b12-8+
InChIKeyRUYDZJYXBJPKIK-XYOKQWHBSA-N
MW254.31 g/mol
LogP1.81
Rot. Bonds5

About ethyl (3E)-3-(thiophene-2-carbonylhydrazinylidene)butanoate

ethyl (3E)-3-(thiophene-2-carbonylhydrazinylidene)butanoate (PubChem CID 5370293) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is ethyl (3E)-3-(thiophene-2-carbonylhydrazinylidene)butanoate.

Molecular Properties

Compound Nameethyl (3E)-3-(thiophene-2-carbonylhydrazinylidene)butanoate
PubChem CID5370293
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Nameethyl (3E)-3-(thiophene-2-carbonylhydrazinylidene)butanoate
SMILESCCOC(=O)C/C(C)=N/NC(=O)c1cccs1
InChIInChI=1S/C11H14N2O3S/c1-3-16-10(14)7-8(2)12-13-11(15)9-5-4-6-17-9/h4-6H,3,7H2,1-2H3,(H,13,15)/b12-8+
InChIKeyRUYDZJYXBJPKIK-XYOKQWHBSA-N
XLogP1.81
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl (3E)-3-(thiophene-2-carbonylhydrazinylidene)butanoate with MolForge

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

Launch Full Analysis

Related Compounds

N-[(Z)-1-thiophen-2-ylethylideneamino]thiophene-2-carboxamide
CID 6386111
N'-[1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)ethylidene]-2-thiophenecarbohydrazide
CID 135543354
N'-cycloheptylidenethiophene-2-carbohydrazide
CID 3143303
N'-cycloheptylidene-5-methylthiophene-2-carbohydrazide
CID 24819038
N'-cyclopentylidenethiophene-2-carbohydrazide
CID 832935
N-(isopropylideneamino)thiophene-2-carboxamide
CID 468653
N-[(E)-2-methylpropylideneamino]thiophene-2-carboxamide
CID 9574848
N'-(1,2,2-trimethylpropylidene)-2-thiophenecarbohydrazide
CID 9615607
N-(1-thiophen-2-ylethylideneamino)-2-thiophenecarboxamide
CID 4602276
N'-cyclohexylidene-2-thiophenecarbohydrazide
CID 969438
N-[(Z)-heptan-2-ylideneamino]thiophene-2-carboxamide
CID 76313650
dimethyl (2Z)-2-(thiophene-2-carbonylhydrazinylidene)butanedioate
CID 5712535

Frequently Asked Questions

What is the IUPAC name of ethyl (3E)-3-(thiophene-2-carbonylhydrazinylidene)butanoate?
The IUPAC name of ethyl (3E)-3-(thiophene-2-carbonylhydrazinylidene)butanoate (CID 5370293) is ethyl (3E)-3-(thiophene-2-carbonylhydrazinylidene)butanoate.
What is the SMILES notation for ethyl (3E)-3-(thiophene-2-carbonylhydrazinylidene)butanoate?
The canonical SMILES for ethyl (3E)-3-(thiophene-2-carbonylhydrazinylidene)butanoate is CCOC(=O)C/C(C)=N/NC(=O)c1cccs1.
What is the InChIKey of ethyl (3E)-3-(thiophene-2-carbonylhydrazinylidene)butanoate?
The InChIKey is RUYDZJYXBJPKIK-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-3-16-10(14)7-8(2)12-13-11(15)9-5-4-6-17-9/h4-6H,3,7H2,1-2H3,(H,13,15)/b12-8+.
What are the key properties of ethyl (3E)-3-(thiophene-2-carbonylhydrazinylidene)butanoate?
ethyl (3E)-3-(thiophene-2-carbonylhydrazinylidene)butanoate has a molecular weight of 254.31 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3E)-3-(thiophene-2-carbonylhydrazinylidene)butanoate is sourced from PubChem (CID 5370293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).