3-dodeca-1,2,3,4,5,6,7,8,9,10,11-undecaenyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione

C26H26N2O2 — CID 59106244

IUPAC3-dodeca-1,2,3,4,5,6,7,8,9,10,11-undecaenyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESC=C=C=C=C=C=C=C=C=C=C=CC1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1=O
InChIInChI=1S/C26H26N2O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-18-23(29)28(24(21)30)22-19-25(2,3)27(6)26(4,5)20-22/h17,21-22H,1,18-20H2,2-6H3
InChIKeyKJEIZLKZUCOYRB-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.75
Rot. Bonds2

About 3-dodeca-1,2,3,4,5,6,7,8,9,10,11-undecaenyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione

3-dodeca-1,2,3,4,5,6,7,8,9,10,11-undecaenyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione (PubChem CID 59106244) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-dodeca-1,2,3,4,5,6,7,8,9,10,11-undecaenyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-dodeca-1,2,3,4,5,6,7,8,9,10,11-undecaenyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
PubChem CID59106244
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name3-dodeca-1,2,3,4,5,6,7,8,9,10,11-undecaenyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESC=C=C=C=C=C=C=C=C=C=C=CC1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1=O
InChIInChI=1S/C26H26N2O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-18-23(29)28(24(21)30)22-19-25(2,3)27(6)26(4,5)20-22/h17,21-22H,1,18-20H2,2-6H3
InChIKeyKJEIZLKZUCOYRB-UHFFFAOYSA-N
XLogP3.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-dodeca-1,2,3,4,5,6,7,8,9,10,11-undecaenyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-dodeca-1,2,3,4,5,6,7,8,9,10,11-undecaenyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione (CID 59106244) is 3-dodeca-1,2,3,4,5,6,7,8,9,10,11-undecaenyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-dodeca-1,2,3,4,5,6,7,8,9,10,11-undecaenyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-dodeca-1,2,3,4,5,6,7,8,9,10,11-undecaenyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione is C=C=C=C=C=C=C=C=C=C=C=CC1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1=O.
What is the InChIKey of 3-dodeca-1,2,3,4,5,6,7,8,9,10,11-undecaenyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The InChIKey is KJEIZLKZUCOYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-18-23(29)28(24(21)30)22-19-25(2,3)27(6)26(4,5)20-22/h17,21-22H,1,18-20H2,2-6H3.
What are the key properties of 3-dodeca-1,2,3,4,5,6,7,8,9,10,11-undecaenyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
3-dodeca-1,2,3,4,5,6,7,8,9,10,11-undecaenyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione has a molecular weight of 398.51 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodeca-1,2,3,4,5,6,7,8,9,10,11-undecaenyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 59106244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).