1-ethyl-3-methylpyrrolidine-2,5-dione;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one

C24H41N3O3 — CID 158819789

IUPAC1-ethyl-3-methylpyrrolidine-2,5-dione;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one
SMILESC=C1CC(C)C(=O)N1CC1CC(C)(C)N(C)C(C)(C)C1.CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C17H30N2O.C7H11NO2/c1-12-8-13(2)19(15(12)20)11-14-9-16(3,4)18(7)17(5,6)10-14;1-3-8-6(9)4-5(2)7(8)10/h12,14H,2,8-11H2,1,3-7H3;5H,3-4H2,1-2H3
InChIKeyIVSJVZDPBQWLFR-UHFFFAOYSA-N
MW419.61 g/mol
LogP3.67
Rot. Bonds3

About 1-ethyl-3-methylpyrrolidine-2,5-dione;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one

1-ethyl-3-methylpyrrolidine-2,5-dione;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one (PubChem CID 158819789) has the molecular formula C24H41N3O3 and a molecular weight of 419.61 g/mol. Its IUPAC name is 1-ethyl-3-methylpyrrolidine-2,5-dione;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-3-methylpyrrolidine-2,5-dione;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one
PubChem CID158819789
Molecular FormulaC24H41N3O3
Molecular Weight419.61 g/mol
Exact Mass419.31
IUPAC Name1-ethyl-3-methylpyrrolidine-2,5-dione;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one
SMILESC=C1CC(C)C(=O)N1CC1CC(C)(C)N(C)C(C)(C)C1.CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C17H30N2O.C7H11NO2/c1-12-8-13(2)19(15(12)20)11-14-9-16(3,4)18(7)17(5,6)10-14;1-3-8-6(9)4-5(2)7(8)10/h12,14H,2,8-11H2,1,3-7H3;5H,3-4H2,1-2H3
InChIKeyIVSJVZDPBQWLFR-UHFFFAOYSA-N
XLogP3.67
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.61
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylpyrrolidine-2,5-dione;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-ethyl-3-methylpyrrolidine-2,5-dione;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one (CID 158819789) is 1-ethyl-3-methylpyrrolidine-2,5-dione;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-3-methylpyrrolidine-2,5-dione;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-3-methylpyrrolidine-2,5-dione;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one is C=C1CC(C)C(=O)N1CC1CC(C)(C)N(C)C(C)(C)C1.CCN1C(=O)CC(C)C1=O.
What is the InChIKey of 1-ethyl-3-methylpyrrolidine-2,5-dione;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is IVSJVZDPBQWLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O.C7H11NO2/c1-12-8-13(2)19(15(12)20)11-14-9-16(3,4)18(7)17(5,6)10-14;1-3-8-6(9)4-5(2)7(8)10/h12,14H,2,8-11H2,1,3-7H3;5H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-3-methylpyrrolidine-2,5-dione;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one?
1-ethyl-3-methylpyrrolidine-2,5-dione;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 419.61 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylpyrrolidine-2,5-dione;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 158819789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).