1-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione

C16H20N2O9 — CID 25267401

IUPAC1-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(O)COCCOCCOCC(O)N1C(=O)C=CC1=O
InChIInChI=1S/C16H20N2O9/c19-11-1-2-12(20)17(11)15(23)9-26-7-5-25-6-8-27-10-16(24)18-13(21)3-4-14(18)22/h1-4,15-16,23-24H,5-10H2
InChIKeyLBKIRPYJPFQROC-UHFFFAOYSA-N
MW384.34 g/mol
LogP-2.48
Rot. Bonds12

About 1-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione

1-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione (PubChem CID 25267401) has the molecular formula C16H20N2O9 and a molecular weight of 384.34 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione
PubChem CID25267401
Molecular FormulaC16H20N2O9
Molecular Weight384.34 g/mol
Exact Mass384.12
IUPAC Name1-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(O)COCCOCCOCC(O)N1C(=O)C=CC1=O
InChIInChI=1S/C16H20N2O9/c19-11-1-2-12(20)17(11)15(23)9-26-7-5-25-6-8-27-10-16(24)18-13(21)3-4-14(18)22/h1-4,15-16,23-24H,5-10H2
InChIKeyLBKIRPYJPFQROC-UHFFFAOYSA-N
XLogP-2.48
TPSA142.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 5-2.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione (CID 25267401) is 1-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1C(O)COCCOCCOCC(O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione?
The InChIKey is LBKIRPYJPFQROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O9/c19-11-1-2-12(20)17(11)15(23)9-26-7-5-25-6-8-27-10-16(24)18-13(21)3-4-14(18)22/h1-4,15-16,23-24H,5-10H2.
What are the key properties of 1-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione?
1-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione has a molecular weight of 384.34 g/mol, XLogP of -2.48, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione is sourced from PubChem (CID 25267401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).