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

C26H47NO4 — CID 13362570

IUPAC(2,5-dioxopyrrolidin-1-yl) docosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C26H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(30)31-27-24(28)22-23-25(27)29/h2-23H2,1H3
InChIKeySEDFXWLCOIDQSL-UHFFFAOYSA-N
MW437.67 g/mol
LogP7.42
Rot. Bonds21

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

(2,5-dioxopyrrolidin-1-yl) docosanoate (PubChem CID 13362570) has the molecular formula C26H47NO4 and a molecular weight of 437.67 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) docosanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) docosanoate
PubChem CID13362570
Molecular FormulaC26H47NO4
Molecular Weight437.67 g/mol
Exact Mass437.35
IUPAC Name(2,5-dioxopyrrolidin-1-yl) docosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C26H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(30)31-27-24(28)22-23-25(27)29/h2-23H2,1H3
InChIKeySEDFXWLCOIDQSL-UHFFFAOYSA-N
XLogP7.42
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.67
LogP ≤ 57.42
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) docosanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) docosanoate (CID 13362570) is (2,5-dioxopyrrolidin-1-yl) docosanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) docosanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) docosanoate is CCCCCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) docosanoate?
The InChIKey is SEDFXWLCOIDQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(30)31-27-24(28)22-23-25(27)29/h2-23H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) docosanoate?
(2,5-dioxopyrrolidin-1-yl) docosanoate has a molecular weight of 437.67 g/mol, XLogP of 7.42, 21 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) docosanoate is sourced from PubChem (CID 13362570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).