1-docosanoylpyrrolidine-2,5-dione

C26H47NO3 — CID 149150583

IUPAC1-docosanoylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N1C(=O)CCC1=O
InChIInChI=1S/C26H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(28)27-25(29)22-23-26(27)30/h2-23H2,1H3
InChIKeyBOMXYKMBNSVPTJ-UHFFFAOYSA-N
MW421.67 g/mol
LogP7.48
Rot. Bonds20

About 1-docosanoylpyrrolidine-2,5-dione

1-docosanoylpyrrolidine-2,5-dione (PubChem CID 149150583) has the molecular formula C26H47NO3 and a molecular weight of 421.67 g/mol. Its IUPAC name is 1-docosanoylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-docosanoylpyrrolidine-2,5-dione
PubChem CID149150583
Molecular FormulaC26H47NO3
Molecular Weight421.67 g/mol
Exact Mass421.36
IUPAC Name1-docosanoylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N1C(=O)CCC1=O
InChIInChI=1S/C26H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(28)27-25(29)22-23-26(27)30/h2-23H2,1H3
InChIKeyBOMXYKMBNSVPTJ-UHFFFAOYSA-N
XLogP7.48
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.67
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-decanoylpyrrolidin-2-one
CID 11021000
2-sulfanylidene-3-tetradecanoyl-1,3-thiazolidin-4-one
CID 71421181
1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid
CID 68586351
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl)oxycarbonyl heptadecanoate
CID 87411738
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-[(E)-hexadec-4-en-4-yl]pyrrolidine-2,5-dione
CID 23220872
(2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate
CID 112758569
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
3-ethyl-1-octanoylpiperidin-4-one
CID 114508255
undecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
CID 56837638
N-(2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide
CID 118234727

Frequently Asked Questions

What is the IUPAC name of 1-docosanoylpyrrolidine-2,5-dione?
The IUPAC name of 1-docosanoylpyrrolidine-2,5-dione (CID 149150583) is 1-docosanoylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-docosanoylpyrrolidine-2,5-dione?
The canonical SMILES for 1-docosanoylpyrrolidine-2,5-dione is CCCCCCCCCCCCCCCCCCCCCC(=O)N1C(=O)CCC1=O.
What is the InChIKey of 1-docosanoylpyrrolidine-2,5-dione?
The InChIKey is BOMXYKMBNSVPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(28)27-25(29)22-23-26(27)30/h2-23H2,1H3.
What are the key properties of 1-docosanoylpyrrolidine-2,5-dione?
1-docosanoylpyrrolidine-2,5-dione has a molecular weight of 421.67 g/mol, XLogP of 7.48, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-docosanoylpyrrolidine-2,5-dione is sourced from PubChem (CID 149150583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).