(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate

C10H13NO4 — CID 14181524

IUPAC(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate
SMILESO=C(ON1C(=O)CCC1=O)C1CCCC1
InChIInChI=1S/C10H13NO4/c12-8-5-6-9(13)11(8)15-10(14)7-3-1-2-4-7/h7H,1-6H2
InChIKeyFZZFVLKTLHLCOM-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.78
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate

(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate (PubChem CID 14181524) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate
PubChem CID14181524
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate
SMILESO=C(ON1C(=O)CCC1=O)C1CCCC1
InChIInChI=1S/C10H13NO4/c12-8-5-6-9(13)11(8)15-10(14)7-3-1-2-4-7/h7H,1-6H2
InChIKeyFZZFVLKTLHLCOM-UHFFFAOYSA-N
XLogP0.78
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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) cyclopentanecarboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate (CID 14181524) is (2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate is O=C(ON1C(=O)CCC1=O)C1CCCC1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate?
The InChIKey is FZZFVLKTLHLCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-8-5-6-9(13)11(8)15-10(14)7-3-1-2-4-7/h7H,1-6H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate?
(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate has a molecular weight of 211.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate is sourced from PubChem (CID 14181524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).