(2-hydroxy-5-oxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate

C9H8N2O6 — CID 134239729

IUPAC(2-hydroxy-5-oxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate
SMILESO=C1C=CC(=O)N1C(=O)ON1C(=O)CCC1O
InChIInChI=1S/C9H8N2O6/c12-5-1-2-6(13)10(5)9(16)17-11-7(14)3-4-8(11)15/h1-2,7,14H,3-4H2
InChIKeyWXVZHKLAUXTENL-UHFFFAOYSA-N
MW240.17 g/mol
LogP-1.10
Rot. Bonds1

About (2-hydroxy-5-oxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate

(2-hydroxy-5-oxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate (PubChem CID 134239729) has the molecular formula C9H8N2O6 and a molecular weight of 240.17 g/mol. Its IUPAC name is (2-hydroxy-5-oxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate.

Molecular Properties

Compound Name(2-hydroxy-5-oxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate
PubChem CID134239729
Molecular FormulaC9H8N2O6
Molecular Weight240.17 g/mol
Exact Mass240.04
IUPAC Name(2-hydroxy-5-oxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate
SMILESO=C1C=CC(=O)N1C(=O)ON1C(=O)CCC1O
InChIInChI=1S/C9H8N2O6/c12-5-1-2-6(13)10(5)9(16)17-11-7(14)3-4-8(11)15/h1-2,7,14H,3-4H2
InChIKeyWXVZHKLAUXTENL-UHFFFAOYSA-N
XLogP-1.10
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(gamma-Maleimidobutyryloxy)succinimide
CID 133440
1-[4-(2,5-Dioxopyrrolidin-1-yl)oxybutyl]pyrrole-2,5-dione
CID 21660856
3-(2,5-Dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione
CID 66895472
4-(2,5-Dioxopyrrol-1-yl)butanoic acid;1-hydroxypyrrolidine-2,5-dione
CID 69254513
(1-Hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 87930817
(2-Hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 91488977
[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 118567781
(2-Hydroxy-5-oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate
CID 123142218
(2-Hydroxy-5-oxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 123629672
(2-Oxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 123673563
(2-Hydroxy-5-oxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 132024003
(2,5-Dioxopyrrol-1-yl) 4-(2,5-dioxopyrrolidin-1-yl)butanoate
CID 139513215

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate?
The IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate (CID 134239729) is (2-hydroxy-5-oxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate.
What is the SMILES notation for (2-hydroxy-5-oxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate?
The canonical SMILES for (2-hydroxy-5-oxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate is O=C1C=CC(=O)N1C(=O)ON1C(=O)CCC1O.
What is the InChIKey of (2-hydroxy-5-oxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate?
The InChIKey is WXVZHKLAUXTENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O6/c12-5-1-2-6(13)10(5)9(16)17-11-7(14)3-4-8(11)15/h1-2,7,14H,3-4H2.
What are the key properties of (2-hydroxy-5-oxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate?
(2-hydroxy-5-oxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate has a molecular weight of 240.17 g/mol, XLogP of -1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-oxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate is sourced from PubChem (CID 134239729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).