3-[(E)-dodec-1-enyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione

C25H44N2O2 — CID 23065687

IUPAC3-[(E)-dodec-1-enyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCC/C=C/C1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C25H44N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)27(23(20)29)21-18-24(2,3)26-25(4,5)19-21/h15-16,20-21,26H,6-14,17-19H2,1-5H3/b16-15+
InChIKeyRAQSZVIPXXYFNL-FOCLMDBBSA-N
MW404.64 g/mol
LogP5.76
Rot. Bonds11

About 3-[(E)-dodec-1-enyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione

3-[(E)-dodec-1-enyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione (PubChem CID 23065687) has the molecular formula C25H44N2O2 and a molecular weight of 404.64 g/mol. Its IUPAC name is 3-[(E)-dodec-1-enyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(E)-dodec-1-enyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
PubChem CID23065687
Molecular FormulaC25H44N2O2
Molecular Weight404.64 g/mol
Exact Mass404.34
IUPAC Name3-[(E)-dodec-1-enyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCC/C=C/C1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C25H44N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)27(23(20)29)21-18-24(2,3)26-25(4,5)19-21/h15-16,20-21,26H,6-14,17-19H2,1-5H3/b16-15+
InChIKeyRAQSZVIPXXYFNL-FOCLMDBBSA-N
XLogP5.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-dodec-1-enyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(E)-dodec-1-enyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione (CID 23065687) is 3-[(E)-dodec-1-enyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(E)-dodec-1-enyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(E)-dodec-1-enyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione is CCCCCCCCCC/C=C/C1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O.
What is the InChIKey of 3-[(E)-dodec-1-enyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The InChIKey is RAQSZVIPXXYFNL-FOCLMDBBSA-N. The full InChI is InChI=1S/C25H44N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)27(23(20)29)21-18-24(2,3)26-25(4,5)19-21/h15-16,20-21,26H,6-14,17-19H2,1-5H3/b16-15+.
What are the key properties of 3-[(E)-dodec-1-enyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
3-[(E)-dodec-1-enyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione has a molecular weight of 404.64 g/mol, XLogP of 5.76, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-dodec-1-enyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 23065687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).