1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione

C9H8N2O5 — CID 126595986

IUPAC1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CON1C(=O)CCC1=O
InChIInChI=1S/C9H8N2O5/c12-6-1-2-7(13)10(6)5-16-11-8(14)3-4-9(11)15/h1-2H,3-5H2
InChIKeyWXTGHBMIODFJCQ-UHFFFAOYSA-N
MW224.17 g/mol
LogP-1.05
Rot. Bonds3

About 1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione

1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione (PubChem CID 126595986) has the molecular formula C9H8N2O5 and a molecular weight of 224.17 g/mol. Its IUPAC name is 1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione
PubChem CID126595986
Molecular FormulaC9H8N2O5
Molecular Weight224.17 g/mol
Exact Mass224.04
IUPAC Name1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CON1C(=O)CCC1=O
InChIInChI=1S/C9H8N2O5/c12-6-1-2-7(13)10(6)5-16-11-8(14)3-4-9(11)15/h1-2H,3-5H2
InChIKeyWXTGHBMIODFJCQ-UHFFFAOYSA-N
XLogP-1.05
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 5-1.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]-6-(2,5-dioxopyrrol-1-yl)hexanal
CID 169179301
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione
CID 159972941
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoate
CID 77078335
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170899516
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078334
(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2-sulfanylbutanoate
CID 130281915
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]-2-oxoethoxy]ethoxy]acetate
CID 59709155
1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione;bis(2,2-dimethylpropane);2-methylpropan-2-ol;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione
CID 158564297
(2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoate
CID 134213114
(2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;ethane
CID 143724509
[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]phosphinic acid
CID 118342136
1-[1-(2,5-dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione
CID 150546781

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione (CID 126595986) is 1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CON1C(=O)CCC1=O.
What is the InChIKey of 1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione?
The InChIKey is WXTGHBMIODFJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O5/c12-6-1-2-7(13)10(6)5-16-11-8(14)3-4-9(11)15/h1-2H,3-5H2.
What are the key properties of 1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione?
1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione has a molecular weight of 224.17 g/mol, XLogP of -1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione is sourced from PubChem (CID 126595986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).