(4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(2-methylphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione

C24H18N2O3S — CID 108623417

IUPAC(4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(2-methylphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
SMILESCc1ccccc1N1C(=O)C(=O)/C(=C(\O)c2c[nH]c3ccccc23)C1c1cccs1
InChIInChI=1S/C24H18N2O3S/c1-14-7-2-5-10-18(14)26-21(19-11-6-12-30-19)20(23(28)24(26)29)22(27)16-13-25-17-9-4-3-8-15(16)17/h2-13,21,25,27H,1H3/b22-20-
InChIKeyZTPFADDWWHCPID-XDOYNYLZSA-N
MW414.49 g/mol
LogP5.16
Rot. Bonds3

About (4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(2-methylphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione

(4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(2-methylphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione (PubChem CID 108623417) has the molecular formula C24H18N2O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is (4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(2-methylphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(2-methylphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
PubChem CID108623417
Molecular FormulaC24H18N2O3S
Molecular Weight414.49 g/mol
Exact Mass414.10
IUPAC Name(4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(2-methylphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
SMILESCc1ccccc1N1C(=O)C(=O)/C(=C(\O)c2c[nH]c3ccccc23)C1c1cccs1
InChIInChI=1S/C24H18N2O3S/c1-14-7-2-5-10-18(14)26-21(19-11-6-12-30-19)20(23(28)24(26)29)22(27)16-13-25-17-9-4-3-8-15(16)17/h2-13,21,25,27H,1H3/b22-20-
InChIKeyZTPFADDWWHCPID-XDOYNYLZSA-N
XLogP5.16
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-[hydroxy(1H-indol-3-yl)methylidene]-1,5-bis(2-methylphenyl)pyrrolidine-2,3-dione
CID 108651206
(4Z)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 108622025
(4Z)-4-[hydroxy-(2-methoxyphenyl)methylidene]-1-(2-methylphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 108623413
(4Z)-1-cyclohexyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 108623897
(4Z)-5-(4-ethoxyphenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108595063
(4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-[2-(1-methylindol-3-yl)ethyl]-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 108691772
(4Z)-4-[(5-chloro-2-methoxyphenyl)-hydroxymethylidene]-1-(2-methylphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 108623414
(4Z)-1-(2,3-dimethylphenyl)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 108622835
(4Z)-1-(2,5-dimethylphenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
CID 108658650
(4Z)-1-(5-chloro-2-methylphenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 108587535
(4E)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-5-(1H-indol-3-yl)-1-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108603907
(4Z)-1-(3-chloro-2-methylphenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108593323

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(2-methylphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione?
The IUPAC name of (4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(2-methylphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione (CID 108623417) is (4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(2-methylphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(2-methylphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(2-methylphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione is Cc1ccccc1N1C(=O)C(=O)/C(=C(\O)c2c[nH]c3ccccc23)C1c1cccs1.
What is the InChIKey of (4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(2-methylphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione?
The InChIKey is ZTPFADDWWHCPID-XDOYNYLZSA-N. The full InChI is InChI=1S/C24H18N2O3S/c1-14-7-2-5-10-18(14)26-21(19-11-6-12-30-19)20(23(28)24(26)29)22(27)16-13-25-17-9-4-3-8-15(16)17/h2-13,21,25,27H,1H3/b22-20-.
What are the key properties of (4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(2-methylphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione?
(4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(2-methylphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione has a molecular weight of 414.49 g/mol, XLogP of 5.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(2-methylphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 108623417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).