(2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutoxy)butanoyl]-2-methyl-9H-fluoren-9-yl]methyl carbonate

C28H31NO8 — CID 159378699

About (2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutoxy)butanoyl]-2-methyl-9H-fluoren-9-yl]methyl carbonate

(2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutoxy)butanoyl]-2-methyl-9H-fluoren-9-yl]methyl carbonate (PubChem CID 159378699) has the molecular formula C28H31NO8 and a molecular weight of 509.56 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutoxy)butanoyl]-2-methyl-9H-fluoren-9-yl]methyl carbonate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutoxy)butanoyl]-2-methyl-9H-fluoren-9-yl]methyl carbonate
• PubChem CID: 159378699
• Molecular Formula: C28H31NO8
• Molecular Weight: 509.56 g/mol
• Exact Mass: 509.20
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutoxy)butanoyl]-2-methyl-9H-fluoren-9-yl]methyl carbonate
• SMILES: Cc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cccc(C(=O)CCCOCCCCO)c1-2
• InChI: InChI=1S/C28H31NO8/c1-18-9-10-20-22(16-18)23(17-36-28(34)37-29-25(32)11-12-26(29)33)19-6-4-7-21(27(19)20)24(31)8-5-15-35-14-3-2-13-30/h4,6-7,9-10,16,23,30H,2-3,5,8,11-15,17H2,1H3
• InChIKey: JNGWZGUHBDZANW-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 119.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.56
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutoxy)butanoyl]-2-methyl-9H-fluoren-9-yl]methyl carbonate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutoxy)butanoyl]-2-methyl-9H-fluoren-9-yl]methyl carbonate (CID 159378699) is (2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutoxy)butanoyl]-2-methyl-9H-fluoren-9-yl]methyl carbonate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutoxy)butanoyl]-2-methyl-9H-fluoren-9-yl]methyl carbonate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutoxy)butanoyl]-2-methyl-9H-fluoren-9-yl]methyl carbonate is Cc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cccc(C(=O)CCCOCCCCO)c1-2.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutoxy)butanoyl]-2-methyl-9H-fluoren-9-yl]methyl carbonate?

The InChIKey is JNGWZGUHBDZANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO8/c1-18-9-10-20-22(16-18)23(17-36-28(34)37-29-25(32)11-12-26(29)33)19-6-4-7-21(27(19)20)24(31)8-5-15-35-14-3-2-13-30/h4,6-7,9-10,16,23,30H,2-3,5,8,11-15,17H2,1H3.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutoxy)butanoyl]-2-methyl-9H-fluoren-9-yl]methyl carbonate?

(2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutoxy)butanoyl]-2-methyl-9H-fluoren-9-yl]methyl carbonate has a molecular weight of 509.56 g/mol, XLogP of 4.08, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutoxy)butanoyl]-2-methyl-9H-fluoren-9-yl]methyl carbonate is sourced from PubChem (CID 159378699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).