(4Z)-5-(4-chlorophenyl)-1-cyclopentyl-4-[3,4-dihydro-2H-chromen-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione

C25H24ClNO4 — CID 108641771

About (4Z)-5-(4-chlorophenyl)-1-cyclopentyl-4-[3,4-dihydro-2H-chromen-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione

(4Z)-5-(4-chlorophenyl)-1-cyclopentyl-4-[3,4-dihydro-2H-chromen-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione (PubChem CID 108641771) has the molecular formula C25H24ClNO4 and a molecular weight of 437.92 g/mol. Its IUPAC name is (4Z)-5-(4-chlorophenyl)-1-cyclopentyl-4-[3,4-dihydro-2H-chromen-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione.

Molecular Properties

• Compound Name: (4Z)-5-(4-chlorophenyl)-1-cyclopentyl-4-[3,4-dihydro-2H-chromen-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
• PubChem CID: 108641771
• Molecular Formula: C25H24ClNO4
• Molecular Weight: 437.92 g/mol
• Exact Mass: 437.14
• IUPAC Name: (4Z)-5-(4-chlorophenyl)-1-cyclopentyl-4-[3,4-dihydro-2H-chromen-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
• SMILES: O=C1C(=O)N(C2CCCC2)C(c2ccc(Cl)cc2)/C1=C(/O)c1ccc2c(c1)CCCO2
• InChI: InChI=1S/C25H24ClNO4/c26-18-10-7-15(8-11-18)22-21(24(29)25(30)27(22)19-5-1-2-6-19)23(28)17-9-12-20-16(14-17)4-3-13-31-20/h7-12,14,19,22,28H,1-6,13H2/b23-21-
• InChIKey: OBDXONRGWDHHRL-LNVKXUELSA-N
• XLogP: 5.03
• TPSA: 66.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.92
LogP ≤ 5	5.03
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)-5-(4-chlorophenyl)-1-cyclopentyl-4-[3,4-dihydro-2H-chromen-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione?

The IUPAC name of (4Z)-5-(4-chlorophenyl)-1-cyclopentyl-4-[3,4-dihydro-2H-chromen-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione (CID 108641771) is (4Z)-5-(4-chlorophenyl)-1-cyclopentyl-4-[3,4-dihydro-2H-chromen-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione.

What is the SMILES notation for (4Z)-5-(4-chlorophenyl)-1-cyclopentyl-4-[3,4-dihydro-2H-chromen-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione?

The canonical SMILES for (4Z)-5-(4-chlorophenyl)-1-cyclopentyl-4-[3,4-dihydro-2H-chromen-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione is O=C1C(=O)N(C2CCCC2)C(c2ccc(Cl)cc2)/C1=C(/O)c1ccc2c(c1)CCCO2.

What is the InChIKey of (4Z)-5-(4-chlorophenyl)-1-cyclopentyl-4-[3,4-dihydro-2H-chromen-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione?

The InChIKey is OBDXONRGWDHHRL-LNVKXUELSA-N. The full InChI is InChI=1S/C25H24ClNO4/c26-18-10-7-15(8-11-18)22-21(24(29)25(30)27(22)19-5-1-2-6-19)23(28)17-9-12-20-16(14-17)4-3-13-31-20/h7-12,14,19,22,28H,1-6,13H2/b23-21-.

What are the key properties of (4Z)-5-(4-chlorophenyl)-1-cyclopentyl-4-[3,4-dihydro-2H-chromen-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione?

(4Z)-5-(4-chlorophenyl)-1-cyclopentyl-4-[3,4-dihydro-2H-chromen-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione has a molecular weight of 437.92 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-5-(4-chlorophenyl)-1-cyclopentyl-4-[3,4-dihydro-2H-chromen-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione is sourced from PubChem (CID 108641771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).