(4E)-4-(1H-imidazol-5-ylmethylidene)-6H-thieno[2,3-b]pyrrol-5-one

C10H7N3OS — CID 18626994

IUPAC(4E)-4-(1H-imidazol-5-ylmethylidene)-6H-thieno[2,3-b]pyrrol-5-one
SMILESO=C1Nc2sccc2/C1=C\c1cnc[nH]1
InChIInChI=1S/C10H7N3OS/c14-9-8(3-6-4-11-5-12-6)7-1-2-15-10(7)13-9/h1-5H,(H,11,12)(H,13,14)/b8-3+
InChIKeyAVIQSXOJVLTPRS-FPYGCLRLSA-N
MW217.25 g/mol
LogP1.96
Rot. Bonds1

About (4E)-4-(1H-imidazol-5-ylmethylidene)-6H-thieno[2,3-b]pyrrol-5-one

(4E)-4-(1H-imidazol-5-ylmethylidene)-6H-thieno[2,3-b]pyrrol-5-one (PubChem CID 18626994) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is (4E)-4-(1H-imidazol-5-ylmethylidene)-6H-thieno[2,3-b]pyrrol-5-one.

Molecular Properties

Compound Name(4E)-4-(1H-imidazol-5-ylmethylidene)-6H-thieno[2,3-b]pyrrol-5-one
PubChem CID18626994
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC Name(4E)-4-(1H-imidazol-5-ylmethylidene)-6H-thieno[2,3-b]pyrrol-5-one
SMILESO=C1Nc2sccc2/C1=C\c1cnc[nH]1
InChIInChI=1S/C10H7N3OS/c14-9-8(3-6-4-11-5-12-6)7-1-2-15-10(7)13-9/h1-5H,(H,11,12)(H,13,14)/b8-3+
InChIKeyAVIQSXOJVLTPRS-FPYGCLRLSA-N
XLogP1.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (4E)-4-(1H-imidazol-5-ylmethylidene)-6H-thieno[2,3-b]pyrrol-5-one?
The IUPAC name of (4E)-4-(1H-imidazol-5-ylmethylidene)-6H-thieno[2,3-b]pyrrol-5-one (CID 18626994) is (4E)-4-(1H-imidazol-5-ylmethylidene)-6H-thieno[2,3-b]pyrrol-5-one.
What is the SMILES notation for (4E)-4-(1H-imidazol-5-ylmethylidene)-6H-thieno[2,3-b]pyrrol-5-one?
The canonical SMILES for (4E)-4-(1H-imidazol-5-ylmethylidene)-6H-thieno[2,3-b]pyrrol-5-one is O=C1Nc2sccc2/C1=C\c1cnc[nH]1.
What is the InChIKey of (4E)-4-(1H-imidazol-5-ylmethylidene)-6H-thieno[2,3-b]pyrrol-5-one?
The InChIKey is AVIQSXOJVLTPRS-FPYGCLRLSA-N. The full InChI is InChI=1S/C10H7N3OS/c14-9-8(3-6-4-11-5-12-6)7-1-2-15-10(7)13-9/h1-5H,(H,11,12)(H,13,14)/b8-3+.
What are the key properties of (4E)-4-(1H-imidazol-5-ylmethylidene)-6H-thieno[2,3-b]pyrrol-5-one?
(4E)-4-(1H-imidazol-5-ylmethylidene)-6H-thieno[2,3-b]pyrrol-5-one has a molecular weight of 217.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(1H-imidazol-5-ylmethylidene)-6H-thieno[2,3-b]pyrrol-5-one is sourced from PubChem (CID 18626994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).