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

C14H16N2O8 — CID 66637241

IUPAC1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(O)COCCOCC(O)N1C(=O)C=CC1=O
InChIInChI=1S/C14H16N2O8/c17-9-1-2-10(18)15(9)13(21)7-23-5-6-24-8-14(22)16-11(19)3-4-12(16)20/h1-4,13-14,21-22H,5-8H2
InChIKeyMNEYVUUWQVAEHQ-UHFFFAOYSA-N
MW340.29 g/mol
LogP-2.49
Rot. Bonds9

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

1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione (PubChem CID 66637241) has the molecular formula C14H16N2O8 and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione
PubChem CID66637241
Molecular FormulaC14H16N2O8
Molecular Weight340.29 g/mol
Exact Mass340.09
IUPAC Name1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(O)COCCOCC(O)N1C(=O)C=CC1=O
InChIInChI=1S/C14H16N2O8/c17-9-1-2-10(18)15(9)13(21)7-23-5-6-24-8-14(22)16-11(19)3-4-12(16)20/h1-4,13-14,21-22H,5-8H2
InChIKeyMNEYVUUWQVAEHQ-UHFFFAOYSA-N
XLogP-2.49
TPSA133.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 5-2.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione (CID 66637241) is 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1C(O)COCCOCC(O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione?
The InChIKey is MNEYVUUWQVAEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O8/c17-9-1-2-10(18)15(9)13(21)7-23-5-6-24-8-14(22)16-11(19)3-4-12(16)20/h1-4,13-14,21-22H,5-8H2.
What are the key properties of 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione?
1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione has a molecular weight of 340.29 g/mol, XLogP of -2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione is sourced from PubChem (CID 66637241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).