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 hydrogen

C26H50N2O2 — CID 161167823

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;molecular hydrogen
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.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H26N2O2.12H2/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;12*1H
InChIKeyUQUBAYJIPMGTJE-UHFFFAOYSA-N
MW422.70 g/mol
LogP6.70
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;molecular hydrogen

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 hydrogen (PubChem CID 161167823) has the molecular formula C26H50N2O2 and a molecular weight of 422.70 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 hydrogen.

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;molecular hydrogen
PubChem CID161167823
Molecular FormulaC26H50N2O2
Molecular Weight422.70 g/mol
Exact Mass422.39
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;molecular hydrogen
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.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H26N2O2.12H2/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;12*1H
InChIKeyUQUBAYJIPMGTJE-UHFFFAOYSA-N
XLogP6.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.70
LogP ≤ 56.70
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;molecular hydrogen?
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;molecular hydrogen (CID 161167823) 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 hydrogen.
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;molecular hydrogen?
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;molecular hydrogen 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.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
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;molecular hydrogen?
The InChIKey is UQUBAYJIPMGTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2.12H2/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;12*1H.
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;molecular hydrogen?
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 hydrogen has a molecular weight of 422.70 g/mol, XLogP of 6.70, 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;molecular hydrogen is sourced from PubChem (CID 161167823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).