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

C15H25NO4 — CID 87234013

IUPAC(2,5-dioxopyrrolidin-1-yl) undecanoate
SMILESCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H25NO4/c1-2-3-4-5-6-7-8-9-10-15(19)20-16-13(17)11-12-14(16)18/h2-12H2,1H3
InChIKeyVHJLGBQZIDQOFQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.12
Rot. Bonds10

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

(2,5-dioxopyrrolidin-1-yl) undecanoate (PubChem CID 87234013) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) undecanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) undecanoate
PubChem CID87234013
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name(2,5-dioxopyrrolidin-1-yl) undecanoate
SMILESCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H25NO4/c1-2-3-4-5-6-7-8-9-10-15(19)20-16-13(17)11-12-14(16)18/h2-12H2,1H3
InChIKeyVHJLGBQZIDQOFQ-UHFFFAOYSA-N
XLogP3.12
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) undecanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) undecanoate (CID 87234013) is (2,5-dioxopyrrolidin-1-yl) undecanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) undecanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) undecanoate is CCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) undecanoate?
The InChIKey is VHJLGBQZIDQOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-2-3-4-5-6-7-8-9-10-15(19)20-16-13(17)11-12-14(16)18/h2-12H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) undecanoate?
(2,5-dioxopyrrolidin-1-yl) undecanoate has a molecular weight of 283.37 g/mol, XLogP of 3.12, 10 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) undecanoate is sourced from PubChem (CID 87234013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).