(4Z)-1-cyclohexyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione

C25H24N2O3 — CID 108640160

IUPAC(4Z)-1-cyclohexyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(C2CCCCC2)C(c2ccccc2)/C1=C(/O)c1c[nH]c2ccccc12
InChIInChI=1S/C25H24N2O3/c28-23(19-15-26-20-14-8-7-13-18(19)20)21-22(16-9-3-1-4-10-16)27(25(30)24(21)29)17-11-5-2-6-12-17/h1,3-4,7-10,13-15,17,22,26,28H,2,5-6,11-12H2/b23-21-
InChIKeyPRHLWPIKIMMYTK-LNVKXUELSA-N
MW400.48 g/mol
LogP4.92
Rot. Bonds3

About (4Z)-1-cyclohexyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione

(4Z)-1-cyclohexyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione (PubChem CID 108640160) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is (4Z)-1-cyclohexyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-1-cyclohexyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione
PubChem CID108640160
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name(4Z)-1-cyclohexyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(C2CCCCC2)C(c2ccccc2)/C1=C(/O)c1c[nH]c2ccccc12
InChIInChI=1S/C25H24N2O3/c28-23(19-15-26-20-14-8-7-13-18(19)20)21-22(16-9-3-1-4-10-16)27(25(30)24(21)29)17-11-5-2-6-12-17/h1,3-4,7-10,13-15,17,22,26,28H,2,5-6,11-12H2/b23-21-
InChIKeyPRHLWPIKIMMYTK-LNVKXUELSA-N
XLogP4.92
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(4Z)-1-cyclohexyl-5-(4-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione
CID 108643016
(4Z)-1-cyclopentyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
CID 108644102
(4Z)-1-cyclohexyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 108623897
(4Z)-1-cyclohexyl-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108640166
(4E)-1-cyclohexyl-4-[hydroxy-(2-methoxyphenyl)methylidene]-5-(1H-indol-3-yl)pyrrolidine-2,3-dione
CID 108604420
ethyl 4-[(4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-2,3-dioxo-5-pyridin-4-ylpyrrolidin-1-yl]piperidine-1-carboxylate
CID 108692729
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-cyclohexyl-5-(1H-indol-3-yl)pyrrolidine-2,3-dione
CID 108604466
(4Z)-1-cyclopentyl-4-[hydroxy-(2-methoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108640827
(4Z)-1-cyclopentyl-4-[hydroxy(pyridin-4-yl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108640867
(4Z)-5-(4-chlorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-phenylpyrrolidine-2,3-dione
CID 108641163
(4Z)-1-(3,4-dimethylphenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108638584
(4Z)-1-cyclohexyl-4-[(4-ethylphenyl)-hydroxymethylidene]-5-phenylpyrrolidine-2,3-dione
CID 108640181

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-cyclohexyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione?
The IUPAC name of (4Z)-1-cyclohexyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione (CID 108640160) is (4Z)-1-cyclohexyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-1-cyclohexyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-1-cyclohexyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione is O=C1C(=O)N(C2CCCCC2)C(c2ccccc2)/C1=C(/O)c1c[nH]c2ccccc12.
What is the InChIKey of (4Z)-1-cyclohexyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione?
The InChIKey is PRHLWPIKIMMYTK-LNVKXUELSA-N. The full InChI is InChI=1S/C25H24N2O3/c28-23(19-15-26-20-14-8-7-13-18(19)20)21-22(16-9-3-1-4-10-16)27(25(30)24(21)29)17-11-5-2-6-12-17/h1,3-4,7-10,13-15,17,22,26,28H,2,5-6,11-12H2/b23-21-.
What are the key properties of (4Z)-1-cyclohexyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione?
(4Z)-1-cyclohexyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione has a molecular weight of 400.48 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-cyclohexyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione is sourced from PubChem (CID 108640160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).