(2,5-dioxopyrrolidin-1-yl) 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate

C12H11NO7 — CID 118063076

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
SMILESCC1=C(CCC(=O)ON2C(=O)CCC2=O)C(=O)OC1=O
InChIInChI=1S/C12H11NO7/c1-6-7(12(18)19-11(6)17)2-5-10(16)20-13-8(14)3-4-9(13)15/h2-5H2,1H3
InChIKeyLSZZJVWSEOVRNO-UHFFFAOYSA-N
MW281.22 g/mol
LogP-0.23
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate

(2,5-dioxopyrrolidin-1-yl) 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate (PubChem CID 118063076) has the molecular formula C12H11NO7 and a molecular weight of 281.22 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
PubChem CID118063076
Molecular FormulaC12H11NO7
Molecular Weight281.22 g/mol
Exact Mass281.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
SMILESCC1=C(CCC(=O)ON2C(=O)CCC2=O)C(=O)OC1=O
InChIInChI=1S/C12H11NO7/c1-6-7(12(18)19-11(6)17)2-5-10(16)20-13-8(14)3-4-9(13)15/h2-5H2,1H3
InChIKeyLSZZJVWSEOVRNO-UHFFFAOYSA-N
XLogP-0.23
TPSA107.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate
CID 88510244
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
(2,5-dioxopyrrolidin-1-yl) 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propanoate
CID 158325383
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]propanoate
CID 13055590
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate
CID 15690079
(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate
CID 88947162

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate (CID 118063076) is (2,5-dioxopyrrolidin-1-yl) 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate is CC1=C(CCC(=O)ON2C(=O)CCC2=O)C(=O)OC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate?
The InChIKey is LSZZJVWSEOVRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO7/c1-6-7(12(18)19-11(6)17)2-5-10(16)20-13-8(14)3-4-9(13)15/h2-5H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate has a molecular weight of 281.22 g/mol, XLogP of -0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate is sourced from PubChem (CID 118063076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).