(3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidine-2,5-dione

C17H11NO4S — CID 53261773

IUPAC(3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidine-2,5-dione
SMILESO=C1C/C(=C/c2ccc(-c3ccc4c(c3)COC4=O)s2)C(=O)N1
InChIInChI=1S/C17H11NO4S/c19-15-7-10(16(20)18-15)6-12-2-4-14(23-12)9-1-3-13-11(5-9)8-22-17(13)21/h1-6H,7-8H2,(H,18,19,20)/b10-6-
InChIKeyZLXGPZCIOWJNNG-POHAHGRESA-N
MW325.35 g/mol
LogP2.52
Rot. Bonds2

About (3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidine-2,5-dione

(3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidine-2,5-dione (PubChem CID 53261773) has the molecular formula C17H11NO4S and a molecular weight of 325.35 g/mol. Its IUPAC name is (3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidine-2,5-dione
PubChem CID53261773
Molecular FormulaC17H11NO4S
Molecular Weight325.35 g/mol
Exact Mass325.04
IUPAC Name(3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidine-2,5-dione
SMILESO=C1C/C(=C/c2ccc(-c3ccc4c(c3)COC4=O)s2)C(=O)N1
InChIInChI=1S/C17H11NO4S/c19-15-7-10(16(20)18-15)6-12-2-4-14(23-12)9-1-3-13-11(5-9)8-22-17(13)21/h1-6H,7-8H2,(H,18,19,20)/b10-6-
InChIKeyZLXGPZCIOWJNNG-POHAHGRESA-N
XLogP2.52
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

5-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 57390864
4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127029491
(5E)-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]imidazolidine-2,4-dione
CID 53259660
(3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidin-2-one
CID 53261774
(5E)-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 57399612
3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127029490
5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one
CID 127029801
(3Z)-1-benzyl-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidin-2-one
CID 57396148
(5E)-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 57399611
(3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]piperidin-2-one
CID 57399613
N-methyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127029494
(e,z)-5-{[5-(1-Oxo-1,3-dihydro-2-benzofuran-5-yl)-2-thienyl]methylene}-2,4-imidazolidinedione
CID 129858224

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidine-2,5-dione?
The IUPAC name of (3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidine-2,5-dione (CID 53261773) is (3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for (3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for (3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidine-2,5-dione is O=C1C/C(=C/c2ccc(-c3ccc4c(c3)COC4=O)s2)C(=O)N1.
What is the InChIKey of (3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidine-2,5-dione?
The InChIKey is ZLXGPZCIOWJNNG-POHAHGRESA-N. The full InChI is InChI=1S/C17H11NO4S/c19-15-7-10(16(20)18-15)6-12-2-4-14(23-12)9-1-3-13-11(5-9)8-22-17(13)21/h1-6H,7-8H2,(H,18,19,20)/b10-6-.
What are the key properties of (3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidine-2,5-dione?
(3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidine-2,5-dione has a molecular weight of 325.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 53261773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).