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

C25H45N3O3 — CID 157264597

IUPAC1-ethyl-3-methylpyrrolidine-2,5-dione;methane;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one
SMILESC.C=C1CC(C)C(=O)N1CC1CC(C)(C)N(C)C(C)(C)C1.CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C17H30N2O.C7H11NO2.CH4/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;1H4
InChIKeyAXVUUKJMUQIVTG-UHFFFAOYSA-N
MW435.65 g/mol
LogP4.30
Rot. Bonds3

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

1-ethyl-3-methylpyrrolidine-2,5-dione;methane;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one (PubChem CID 157264597) has the molecular formula C25H45N3O3 and a molecular weight of 435.65 g/mol. Its IUPAC name is 1-ethyl-3-methylpyrrolidine-2,5-dione;methane;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;methane;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one
PubChem CID157264597
Molecular FormulaC25H45N3O3
Molecular Weight435.65 g/mol
Exact Mass435.35
IUPAC Name1-ethyl-3-methylpyrrolidine-2,5-dione;methane;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one
SMILESC.C=C1CC(C)C(=O)N1CC1CC(C)(C)N(C)C(C)(C)C1.CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C17H30N2O.C7H11NO2.CH4/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;1H4
InChIKeyAXVUUKJMUQIVTG-UHFFFAOYSA-N
XLogP4.30
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.65
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 20768152
3-Tert-butyl-1-[6-(3-tert-butylpyrrolidin-1-yl)hept-6-enyl]pyrrolidine-2,5-dione
CID 132222690
1-[6-[3-(2-Methylpentan-2-yl)pyrrolidin-1-yl]hept-6-enyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 134403479
Methane;1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione
CID 157758371
1-Ethyl-3-methyl-5-methylidenepyrrolidin-2-one;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 158646105
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
1-Ethyl-3-methyl-5-methylidenepyrrolidin-2-one;methane;3-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione
CID 159150265
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
3-Methyl-1-[6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione
CID 167093451

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylpyrrolidine-2,5-dione;methane;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;methane;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one (CID 157264597) is 1-ethyl-3-methylpyrrolidine-2,5-dione;methane;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;methane;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;methane;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one is C.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;methane;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is AXVUUKJMUQIVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O.C7H11NO2.CH4/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;1H4.
What are the key properties of 1-ethyl-3-methylpyrrolidine-2,5-dione;methane;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one?
1-ethyl-3-methylpyrrolidine-2,5-dione;methane;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 435.65 g/mol, XLogP of 4.30, 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;methane;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 157264597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).