(2E)-2-(thiophene-2-carbonylhydrazinylidene)propanoic acid

C8H8N2O3S — CID 15734911

IUPAC(2E)-2-(thiophene-2-carbonylhydrazinylidene)propanoic acid
SMILESC/C(=N\NC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C8H8N2O3S/c1-5(8(12)13)9-10-7(11)6-3-2-4-14-6/h2-4H,1H3,(H,10,11)(H,12,13)/b9-5+
InChIKeyILHWIZVDYBTYDB-WEVVVXLNSA-N
MW212.23 g/mol
LogP0.94
Rot. Bonds3

About (2E)-2-(thiophene-2-carbonylhydrazinylidene)propanoic acid

(2E)-2-(thiophene-2-carbonylhydrazinylidene)propanoic acid (PubChem CID 15734911) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is (2E)-2-(thiophene-2-carbonylhydrazinylidene)propanoic acid.

Molecular Properties

Compound Name(2E)-2-(thiophene-2-carbonylhydrazinylidene)propanoic acid
PubChem CID15734911
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name(2E)-2-(thiophene-2-carbonylhydrazinylidene)propanoic acid
SMILESC/C(=N\NC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C8H8N2O3S/c1-5(8(12)13)9-10-7(11)6-3-2-4-14-6/h2-4H,1H3,(H,10,11)(H,12,13)/b9-5+
InChIKeyILHWIZVDYBTYDB-WEVVVXLNSA-N
XLogP0.94
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 (2E)-2-(thiophene-2-carbonylhydrazinylidene)propanoic acid?
The IUPAC name of (2E)-2-(thiophene-2-carbonylhydrazinylidene)propanoic acid (CID 15734911) is (2E)-2-(thiophene-2-carbonylhydrazinylidene)propanoic acid.
What is the SMILES notation for (2E)-2-(thiophene-2-carbonylhydrazinylidene)propanoic acid?
The canonical SMILES for (2E)-2-(thiophene-2-carbonylhydrazinylidene)propanoic acid is C/C(=N\NC(=O)c1cccs1)C(=O)O.
What is the InChIKey of (2E)-2-(thiophene-2-carbonylhydrazinylidene)propanoic acid?
The InChIKey is ILHWIZVDYBTYDB-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H8N2O3S/c1-5(8(12)13)9-10-7(11)6-3-2-4-14-6/h2-4H,1H3,(H,10,11)(H,12,13)/b9-5+.
What are the key properties of (2E)-2-(thiophene-2-carbonylhydrazinylidene)propanoic acid?
(2E)-2-(thiophene-2-carbonylhydrazinylidene)propanoic acid has a molecular weight of 212.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(thiophene-2-carbonylhydrazinylidene)propanoic acid is sourced from PubChem (CID 15734911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).