(4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-phenyl-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione

C30H25NO4 — CID 108586491

About (4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-phenyl-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione

(4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-phenyl-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione (PubChem CID 108586491) has the molecular formula C30H25NO4 and a molecular weight of 463.53 g/mol. Its IUPAC name is (4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-phenyl-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione.

Molecular Properties

• Compound Name: (4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-phenyl-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
• PubChem CID: 108586491
• Molecular Formula: C30H25NO4
• Molecular Weight: 463.53 g/mol
• Exact Mass: 463.18
• IUPAC Name: (4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-phenyl-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
• SMILES: CC(C)Oc1cccc(C2/C(=C(/O)c3cccc4ccccc34)C(=O)C(=O)N2c2ccccc2)c1
• InChI: InChI=1S/C30H25NO4/c1-19(2)35-23-15-8-12-21(18-23)27-26(29(33)30(34)31(27)22-13-4-3-5-14-22)28(32)25-17-9-11-20-10-6-7-16-24(20)25/h3-19,27,32H,1-2H3/b28-26-
• InChIKey: PYIUGBMYSVHGIN-SGEDCAFJSA-N
• XLogP: 6.25
• TPSA: 66.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.53
LogP ≤ 5	6.25
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)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-phenyl-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione?

The IUPAC name of (4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-phenyl-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione (CID 108586491) is (4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-phenyl-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione.

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

The canonical SMILES for (4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-phenyl-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione is CC(C)Oc1cccc(C2/C(=C(/O)c3cccc4ccccc34)C(=O)C(=O)N2c2ccccc2)c1.

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

The InChIKey is PYIUGBMYSVHGIN-SGEDCAFJSA-N. The full InChI is InChI=1S/C30H25NO4/c1-19(2)35-23-15-8-12-21(18-23)27-26(29(33)30(34)31(27)22-13-4-3-5-14-22)28(32)25-17-9-11-20-10-6-7-16-24(20)25/h3-19,27,32H,1-2H3/b28-26-.

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

(4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-phenyl-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione has a molecular weight of 463.53 g/mol, XLogP of 6.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-phenyl-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108586491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).