1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione;propanoic acid

C11H12N2O6 — CID 71114953

IUPAC1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione;propanoic acid
SMILESCCC(=O)O.O=C1C=CC(=O)N1N1C(=O)CCC1=O
InChIInChI=1S/C8H6N2O4.C3H6O2/c11-5-1-2-6(12)9(5)10-7(13)3-4-8(10)14;1-2-3(4)5/h1-2H,3-4H2;2H2,1H3,(H,4,5)
InChIKeyWOVUINLYUJJGSY-UHFFFAOYSA-N
MW268.22 g/mol
LogP-0.54
Rot. Bonds2

About 1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione;propanoic acid

1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione;propanoic acid (PubChem CID 71114953) has the molecular formula C11H12N2O6 and a molecular weight of 268.22 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione;propanoic acid.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione;propanoic acid
PubChem CID71114953
Molecular FormulaC11H12N2O6
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione;propanoic acid
SMILESCCC(=O)O.O=C1C=CC(=O)N1N1C(=O)CCC1=O
InChIInChI=1S/C8H6N2O4.C3H6O2/c11-5-1-2-6(12)9(5)10-7(13)3-4-8(10)14;1-2-3(4)5/h1-2H,3-4H2;2H2,1H3,(H,4,5)
InChIKeyWOVUINLYUJJGSY-UHFFFAOYSA-N
XLogP-0.54
TPSA112.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-Dioxopyrrolidin-1-yl)pyrrole-2,5-dione
CID 18962863
Acetic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione
CID 69079401
Butanoic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione
CID 139513216
Acetic acid;pyrrole-2,5-dione;pyrrolidine-2,5-dione
CID 161464096
(2,5-Dioxopyrrol-1-yl) butanoate;1-hydroxypyrrolidine-2,5-dione
CID 175381082
N-(2,5-dioxopyrrolidin-1-yl)-N-(2,5-dioxopyrrol-1-yl)propanamide
CID 175692903

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione;propanoic acid?
The IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione;propanoic acid (CID 71114953) is 1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione;propanoic acid.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione;propanoic acid?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione;propanoic acid is CCC(=O)O.O=C1C=CC(=O)N1N1C(=O)CCC1=O.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione;propanoic acid?
The InChIKey is WOVUINLYUJJGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4.C3H6O2/c11-5-1-2-6(12)9(5)10-7(13)3-4-8(10)14;1-2-3(4)5/h1-2H,3-4H2;2H2,1H3,(H,4,5).
What are the key properties of 1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione;propanoic acid?
1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione;propanoic acid has a molecular weight of 268.22 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione;propanoic acid is sourced from PubChem (CID 71114953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).