(4Z)-1-cyclopentyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

C27H28N2O3 — CID 108644102

About (4Z)-1-cyclopentyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

(4Z)-1-cyclopentyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione (PubChem CID 108644102) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is (4Z)-1-cyclopentyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione.

Molecular Properties

• Compound Name: (4Z)-1-cyclopentyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
• PubChem CID: 108644102
• Molecular Formula: C27H28N2O3
• Molecular Weight: 428.53 g/mol
• Exact Mass: 428.21
• IUPAC Name: (4Z)-1-cyclopentyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
• SMILES: CC(C)c1ccc(C2/C(=C(/O)c3c[nH]c4ccccc34)C(=O)C(=O)N2C2CCCC2)cc1
• InChI: InChI=1S/C27H28N2O3/c1-16(2)17-11-13-18(14-12-17)24-23(26(31)27(32)29(24)19-7-3-4-8-19)25(30)21-15-28-22-10-6-5-9-20(21)22/h5-6,9-16,19,24,28,30H,3-4,7-8H2,1-2H3/b25-23-
• InChIKey: BEJZOQSCXRRJPD-BZZOAKBMSA-N
• XLogP: 5.66
• TPSA: 73.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.53
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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'}

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-cyclopentyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione?

The IUPAC name of (4Z)-1-cyclopentyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione (CID 108644102) is (4Z)-1-cyclopentyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione.

What is the SMILES notation for (4Z)-1-cyclopentyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione?

The canonical SMILES for (4Z)-1-cyclopentyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione is CC(C)c1ccc(C2/C(=C(/O)c3c[nH]c4ccccc34)C(=O)C(=O)N2C2CCCC2)cc1.

What is the InChIKey of (4Z)-1-cyclopentyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione?

The InChIKey is BEJZOQSCXRRJPD-BZZOAKBMSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-16(2)17-11-13-18(14-12-17)24-23(26(31)27(32)29(24)19-7-3-4-8-19)25(30)21-15-28-22-10-6-5-9-20(21)22/h5-6,9-16,19,24,28,30H,3-4,7-8H2,1-2H3/b25-23-.

What are the key properties of (4Z)-1-cyclopentyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione?

(4Z)-1-cyclopentyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione has a molecular weight of 428.53 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-1-cyclopentyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108644102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).