1-[2-[3-[3-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]ethyl]pyrrole-2,5-dione

C21H30N2O11 — CID 58241538

About 1-[2-[3-[3-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]ethyl]pyrrole-2,5-dione

1-[2-[3-[3-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]ethyl]pyrrole-2,5-dione (PubChem CID 58241538) has the molecular formula C21H30N2O11 and a molecular weight of 486.47 g/mol. Its IUPAC name is 1-[2-[3-[3-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]ethyl]pyrrole-2,5-dione.

Molecular Properties

• Compound Name: 1-[2-[3-[3-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]ethyl]pyrrole-2,5-dione
• PubChem CID: 58241538
• Molecular Formula: C21H30N2O11
• Molecular Weight: 486.47 g/mol
• Exact Mass: 486.18
• IUPAC Name: 1-[2-[3-[3-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]ethyl]pyrrole-2,5-dione
• SMILES: O=C1C=CC(=O)N1CCOCC(O)COCC(O)COCC(O)COCCN1C(=O)C=CC1=O
• InChI: InChI=1S/C21H30N2O11/c24-15(9-31-7-5-22-18(27)1-2-19(22)28)11-33-13-17(26)14-34-12-16(25)10-32-8-6-23-20(29)3-4-21(23)30/h1-4,15-17,24-26H,5-14H2
• InChIKey: SWYFJKYNCGGCEV-UHFFFAOYSA-N
• XLogP: -3.01
• TPSA: 172.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.47
LogP ≤ 5	-3.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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 1-[2-[3-[3-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]ethyl]pyrrole-2,5-dione?

The IUPAC name of 1-[2-[3-[3-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]ethyl]pyrrole-2,5-dione (CID 58241538) is 1-[2-[3-[3-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]ethyl]pyrrole-2,5-dione.

What is the SMILES notation for 1-[2-[3-[3-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]ethyl]pyrrole-2,5-dione?

The canonical SMILES for 1-[2-[3-[3-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]ethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCOCC(O)COCC(O)COCC(O)COCCN1C(=O)C=CC1=O.

What is the InChIKey of 1-[2-[3-[3-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]ethyl]pyrrole-2,5-dione?

The InChIKey is SWYFJKYNCGGCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O11/c24-15(9-31-7-5-22-18(27)1-2-19(22)28)11-33-13-17(26)14-34-12-16(25)10-32-8-6-23-20(29)3-4-21(23)30/h1-4,15-17,24-26H,5-14H2.

What are the key properties of 1-[2-[3-[3-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]ethyl]pyrrole-2,5-dione?

1-[2-[3-[3-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]ethyl]pyrrole-2,5-dione has a molecular weight of 486.47 g/mol, XLogP of -3.01, 18 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-[3-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 58241538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).