ethyl (2E)-2-(5-oxo-6H-thieno[2,3-b]pyrrol-4-ylidene)acetate

C10H9NO3S — CID 10977069

IUPACethyl (2E)-2-(5-oxo-6H-thieno[2,3-b]pyrrol-4-ylidene)acetate
SMILESCCOC(=O)/C=C1/C(=O)Nc2sccc21
InChIInChI=1S/C10H9NO3S/c1-2-14-8(12)5-7-6-3-4-15-10(6)11-9(7)13/h3-5H,2H2,1H3,(H,11,13)/b7-5+
InChIKeyUZTCNQURJAVWTP-FNORWQNLSA-N
MW223.25 g/mol
LogP1.65
Rot. Bonds2

About ethyl (2E)-2-(5-oxo-6H-thieno[2,3-b]pyrrol-4-ylidene)acetate

ethyl (2E)-2-(5-oxo-6H-thieno[2,3-b]pyrrol-4-ylidene)acetate (PubChem CID 10977069) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is ethyl (2E)-2-(5-oxo-6H-thieno[2,3-b]pyrrol-4-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(5-oxo-6H-thieno[2,3-b]pyrrol-4-ylidene)acetate
PubChem CID10977069
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Nameethyl (2E)-2-(5-oxo-6H-thieno[2,3-b]pyrrol-4-ylidene)acetate
SMILESCCOC(=O)/C=C1/C(=O)Nc2sccc21
InChIInChI=1S/C10H9NO3S/c1-2-14-8(12)5-7-6-3-4-15-10(6)11-9(7)13/h3-5H,2H2,1H3,(H,11,13)/b7-5+
InChIKeyUZTCNQURJAVWTP-FNORWQNLSA-N
XLogP1.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(5-oxo-6H-thieno[2,3-b]pyrrol-4-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-(5-oxo-6H-thieno[2,3-b]pyrrol-4-ylidene)acetate (CID 10977069) is ethyl (2E)-2-(5-oxo-6H-thieno[2,3-b]pyrrol-4-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(5-oxo-6H-thieno[2,3-b]pyrrol-4-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(5-oxo-6H-thieno[2,3-b]pyrrol-4-ylidene)acetate is CCOC(=O)/C=C1/C(=O)Nc2sccc21.
What is the InChIKey of ethyl (2E)-2-(5-oxo-6H-thieno[2,3-b]pyrrol-4-ylidene)acetate?
The InChIKey is UZTCNQURJAVWTP-FNORWQNLSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-2-14-8(12)5-7-6-3-4-15-10(6)11-9(7)13/h3-5H,2H2,1H3,(H,11,13)/b7-5+.
What are the key properties of ethyl (2E)-2-(5-oxo-6H-thieno[2,3-b]pyrrol-4-ylidene)acetate?
ethyl (2E)-2-(5-oxo-6H-thieno[2,3-b]pyrrol-4-ylidene)acetate has a molecular weight of 223.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(5-oxo-6H-thieno[2,3-b]pyrrol-4-ylidene)acetate is sourced from PubChem (CID 10977069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).