(2,5-dioxopyrrolidin-1-yl) 3-(5-oxo-2H-pyrrol-1-yl)propanoate

C11H12N2O5 — CID 137466289

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-(5-oxo-2H-pyrrol-1-yl)propanoate
SMILESO=C(CCN1CC=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H12N2O5/c14-8-2-1-6-12(8)7-5-11(17)18-13-9(15)3-4-10(13)16/h1-2H,3-7H2
InChIKeyCJXMIQLSOFOQAT-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.62
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 3-(5-oxo-2H-pyrrol-1-yl)propanoate

(2,5-dioxopyrrolidin-1-yl) 3-(5-oxo-2H-pyrrol-1-yl)propanoate (PubChem CID 137466289) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(5-oxo-2H-pyrrol-1-yl)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-(5-oxo-2H-pyrrol-1-yl)propanoate
PubChem CID137466289
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(5-oxo-2H-pyrrol-1-yl)propanoate
SMILESO=C(CCN1CC=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H12N2O5/c14-8-2-1-6-12(8)7-5-11(17)18-13-9(15)3-4-10(13)16/h1-2H,3-7H2
InChIKeyCJXMIQLSOFOQAT-UHFFFAOYSA-N
XLogP-0.62
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(5-oxo-2H-pyrrol-1-yl)propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(5-oxo-2H-pyrrol-1-yl)propanoate (CID 137466289) is (2,5-dioxopyrrolidin-1-yl) 3-(5-oxo-2H-pyrrol-1-yl)propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(5-oxo-2H-pyrrol-1-yl)propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(5-oxo-2H-pyrrol-1-yl)propanoate is O=C(CCN1CC=CC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(5-oxo-2H-pyrrol-1-yl)propanoate?
The InChIKey is CJXMIQLSOFOQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c14-8-2-1-6-12(8)7-5-11(17)18-13-9(15)3-4-10(13)16/h1-2H,3-7H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(5-oxo-2H-pyrrol-1-yl)propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-(5-oxo-2H-pyrrol-1-yl)propanoate has a molecular weight of 252.23 g/mol, XLogP of -0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-(5-oxo-2H-pyrrol-1-yl)propanoate is sourced from PubChem (CID 137466289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).