(2,5-dioxopyrrolidin-1-yl) 4-oxopentanoate

C9H11NO5 — CID 20679361

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-oxopentanoate
SMILESCC(=O)CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H11NO5/c1-6(11)2-5-9(14)15-10-7(12)3-4-8(10)13/h2-5H2,1H3
InChIKeyRYTNUBMUCRZNKN-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.04
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 4-oxopentanoate

(2,5-dioxopyrrolidin-1-yl) 4-oxopentanoate (PubChem CID 20679361) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-oxopentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-oxopentanoate
PubChem CID20679361
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-oxopentanoate
SMILESCC(=O)CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H11NO5/c1-6(11)2-5-9(14)15-10-7(12)3-4-8(10)13/h2-5H2,1H3
InChIKeyRYTNUBMUCRZNKN-UHFFFAOYSA-N
XLogP-0.04
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 4-oxopentanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-oxopentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-oxopentanoate (CID 20679361) is (2,5-dioxopyrrolidin-1-yl) 4-oxopentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-oxopentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-oxopentanoate is CC(=O)CCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-oxopentanoate?
The InChIKey is RYTNUBMUCRZNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-6(11)2-5-9(14)15-10-7(12)3-4-8(10)13/h2-5H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-oxopentanoate?
(2,5-dioxopyrrolidin-1-yl) 4-oxopentanoate has a molecular weight of 213.19 g/mol, XLogP of -0.04, 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) 4-oxopentanoate is sourced from PubChem (CID 20679361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).