(2,5-dioxopyrrolidin-1-yl) 3-oxocyclobutane-1-carboxylate

C9H9NO5 — CID 59133049

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-oxocyclobutane-1-carboxylate
SMILESO=C1CC(C(=O)ON2C(=O)CCC2=O)C1
InChIInChI=1S/C9H9NO5/c11-6-3-5(4-6)9(14)15-10-7(12)1-2-8(10)13/h5H,1-4H2
InChIKeyYSSHHKYKCKPLCN-UHFFFAOYSA-N
MW211.17 g/mol
LogP-0.43
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 3-oxocyclobutane-1-carboxylate

(2,5-dioxopyrrolidin-1-yl) 3-oxocyclobutane-1-carboxylate (PubChem CID 59133049) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-oxocyclobutane-1-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-oxocyclobutane-1-carboxylate
PubChem CID59133049
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-oxocyclobutane-1-carboxylate
SMILESO=C1CC(C(=O)ON2C(=O)CCC2=O)C1
InChIInChI=1S/C9H9NO5/c11-6-3-5(4-6)9(14)15-10-7(12)1-2-8(10)13/h5H,1-4H2
InChIKeyYSSHHKYKCKPLCN-UHFFFAOYSA-N
XLogP-0.43
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 5-0.43
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) 3-oxocyclobutane-1-carboxylate 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) 3-oxocyclobutane-1-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-oxocyclobutane-1-carboxylate (CID 59133049) is (2,5-dioxopyrrolidin-1-yl) 3-oxocyclobutane-1-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-oxocyclobutane-1-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-oxocyclobutane-1-carboxylate is O=C1CC(C(=O)ON2C(=O)CCC2=O)C1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-oxocyclobutane-1-carboxylate?
The InChIKey is YSSHHKYKCKPLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5/c11-6-3-5(4-6)9(14)15-10-7(12)1-2-8(10)13/h5H,1-4H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-oxocyclobutane-1-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 3-oxocyclobutane-1-carboxylate has a molecular weight of 211.17 g/mol, XLogP of -0.43, 2 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-oxocyclobutane-1-carboxylate is sourced from PubChem (CID 59133049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).