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

C9H11NO4 — CID 15927789

IUPAC(2,5-dioxopyrrolidin-1-yl) cyclobutanecarboxylate
SMILESO=C(ON1C(=O)CCC1=O)C1CCC1
InChIInChI=1S/C9H11NO4/c11-7-4-5-8(12)10(7)14-9(13)6-2-1-3-6/h6H,1-5H2
InChIKeyFZRMAFNTPNUYSY-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.39
Rot. Bonds2

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

(2,5-dioxopyrrolidin-1-yl) cyclobutanecarboxylate (PubChem CID 15927789) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) cyclobutanecarboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) cyclobutanecarboxylate
PubChem CID15927789
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) cyclobutanecarboxylate
SMILESO=C(ON1C(=O)CCC1=O)C1CCC1
InChIInChI=1S/C9H11NO4/c11-7-4-5-8(12)10(7)14-9(13)6-2-1-3-6/h6H,1-5H2
InChIKeyFZRMAFNTPNUYSY-UHFFFAOYSA-N
XLogP0.39
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.39
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) cyclobutanecarboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) cyclobutanecarboxylate (CID 15927789) is (2,5-dioxopyrrolidin-1-yl) cyclobutanecarboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) cyclobutanecarboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) cyclobutanecarboxylate is O=C(ON1C(=O)CCC1=O)C1CCC1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) cyclobutanecarboxylate?
The InChIKey is FZRMAFNTPNUYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c11-7-4-5-8(12)10(7)14-9(13)6-2-1-3-6/h6H,1-5H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) cyclobutanecarboxylate?
(2,5-dioxopyrrolidin-1-yl) cyclobutanecarboxylate has a molecular weight of 197.19 g/mol, XLogP of 0.39, 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) cyclobutanecarboxylate is sourced from PubChem (CID 15927789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).