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

C27H30N4O7 — CID 167651855

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

[2-[4-(2-azidoethoxy)butanoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;ethane (PubChem CID 167651855) has the molecular formula C27H30N4O7 and a molecular weight of 522.56 g/mol. Its IUPAC name is [2-[4-(2-azidoethoxy)butanoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;ethane.

Molecular Properties

• Compound Name: [2-[4-(2-azidoethoxy)butanoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;ethane
• PubChem CID: 167651855
• Molecular Formula: C27H30N4O7
• Molecular Weight: 522.56 g/mol
• Exact Mass: 522.21
• IUPAC Name: [2-[4-(2-azidoethoxy)butanoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;ethane
• SMILES: CC.[N-]=[N+]=NCCOCCCC(=O)c1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1ccccc1-2
• InChI: InChI=1S/C25H24N4O7.C2H6/c26-28-27-11-13-34-12-3-6-22(30)16-7-8-19-17-4-1-2-5-18(17)21(20(19)14-16)15-35-25(33)36-29-23(31)9-10-24(29)32;1-2/h1-2,4-5,7-8,14,21H,3,6,9-13,15H2;1-2H3
• InChIKey: QRORXYUGHCPLSL-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 147.97 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.56
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of [2-[4-(2-azidoethoxy)butanoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;ethane (CID 167651855) is [2-[4-(2-azidoethoxy)butanoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;ethane.

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

The canonical SMILES for [2-[4-(2-azidoethoxy)butanoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;ethane is CC.[N-]=[N+]=NCCOCCCC(=O)c1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1ccccc1-2.

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

The InChIKey is QRORXYUGHCPLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O7.C2H6/c26-28-27-11-13-34-12-3-6-22(30)16-7-8-19-17-4-1-2-5-18(17)21(20(19)14-16)15-35-25(33)36-29-23(31)9-10-24(29)32;1-2/h1-2,4-5,7-8,14,21H,3,6,9-13,15H2;1-2H3.

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

[2-[4-(2-azidoethoxy)butanoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;ethane has a molecular weight of 522.56 g/mol, XLogP of 5.33, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-(2-azidoethoxy)butanoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;ethane is sourced from PubChem (CID 167651855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).