(4Z)-1-cyclopentyl-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-(2-methylphenyl)pyrrolidine-2,3-dione

C26H29NO4 — CID 108652560

About (4Z)-1-cyclopentyl-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-(2-methylphenyl)pyrrolidine-2,3-dione

(4Z)-1-cyclopentyl-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-(2-methylphenyl)pyrrolidine-2,3-dione (PubChem CID 108652560) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is (4Z)-1-cyclopentyl-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-(2-methylphenyl)pyrrolidine-2,3-dione.

Molecular Properties

• Compound Name: (4Z)-1-cyclopentyl-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-(2-methylphenyl)pyrrolidine-2,3-dione
• PubChem CID: 108652560
• Molecular Formula: C26H29NO4
• Molecular Weight: 419.52 g/mol
• Exact Mass: 419.21
• IUPAC Name: (4Z)-1-cyclopentyl-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-(2-methylphenyl)pyrrolidine-2,3-dione
• SMILES: Cc1ccccc1C1/C(=C(/O)c2ccc(OC(C)C)cc2)C(=O)C(=O)N1C1CCCC1
• InChI: InChI=1S/C26H29NO4/c1-16(2)31-20-14-12-18(13-15-20)24(28)22-23(21-11-7-4-8-17(21)3)27(26(30)25(22)29)19-9-5-6-10-19/h4,7-8,11-16,19,23,28H,5-6,9-10H2,1-3H3/b24-22-
• InChIKey: NMYZWXOECHEZFJ-GYHWCHFESA-N
• XLogP: 5.15
• TPSA: 66.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.52
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-(4-propan-2-yloxyphenyl)methylidene]-5-(2-methylphenyl)pyrrolidine-2,3-dione?

The IUPAC name of (4Z)-1-cyclopentyl-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-(2-methylphenyl)pyrrolidine-2,3-dione (CID 108652560) is (4Z)-1-cyclopentyl-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-(2-methylphenyl)pyrrolidine-2,3-dione.

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

The canonical SMILES for (4Z)-1-cyclopentyl-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-(2-methylphenyl)pyrrolidine-2,3-dione is Cc1ccccc1C1/C(=C(/O)c2ccc(OC(C)C)cc2)C(=O)C(=O)N1C1CCCC1.

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

The InChIKey is NMYZWXOECHEZFJ-GYHWCHFESA-N. The full InChI is InChI=1S/C26H29NO4/c1-16(2)31-20-14-12-18(13-15-20)24(28)22-23(21-11-7-4-8-17(21)3)27(26(30)25(22)29)19-9-5-6-10-19/h4,7-8,11-16,19,23,28H,5-6,9-10H2,1-3H3/b24-22-.

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

(4Z)-1-cyclopentyl-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-(2-methylphenyl)pyrrolidine-2,3-dione has a molecular weight of 419.52 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-1-cyclopentyl-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-(2-methylphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108652560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).