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

C25H45N3O3 — CID 159150265

IUPAC1-ethyl-3-methyl-5-methylidenepyrrolidin-2-one;methane;3-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione
SMILESC.C=C1CC(C)C(=O)N1CC.CC1CC(=O)N(CC2CC(C)(C)N(C)C(C)(C)C2)C1=O
InChIInChI=1S/C16H28N2O2.C8H13NO.CH4/c1-11-7-13(19)18(14(11)20)10-12-8-15(2,3)17(6)16(4,5)9-12;1-4-9-7(3)5-6(2)8(9)10;/h11-12H,7-10H2,1-6H3;6H,3-5H2,1-2H3;1H4
InChIKeyKJENTFRVTKXMMW-UHFFFAOYSA-N
MW435.65 g/mol
LogP4.30
Rot. Bonds3

About 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

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 (PubChem CID 159150265) has the molecular formula C25H45N3O3 and a molecular weight of 435.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-methylidenepyrrolidin-2-one;methane;3-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione
PubChem CID159150265
Molecular FormulaC25H45N3O3
Molecular Weight435.65 g/mol
Exact Mass435.35
IUPAC Name1-ethyl-3-methyl-5-methylidenepyrrolidin-2-one;methane;3-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione
SMILESC.C=C1CC(C)C(=O)N1CC.CC1CC(=O)N(CC2CC(C)(C)N(C)C(C)(C)C2)C1=O
InChIInChI=1S/C16H28N2O2.C8H13NO.CH4/c1-11-7-13(19)18(14(11)20)10-12-8-15(2,3)17(6)16(4,5)9-12;1-4-9-7(3)5-6(2)8(9)10;/h11-12H,7-10H2,1-6H3;6H,3-5H2,1-2H3;1H4
InChIKeyKJENTFRVTKXMMW-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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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C=C1CC(C)C(=O)N1CC.CC1CC(=O)N(CC2CC(C)(C)N(C)C(C)(C)C2)C1=O.
What is the InChIKey of 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?
The InChIKey is KJENTFRVTKXMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2.C8H13NO.CH4/c1-11-7-13(19)18(14(11)20)10-12-8-15(2,3)17(6)16(4,5)9-12;1-4-9-7(3)5-6(2)8(9)10;/h11-12H,7-10H2,1-6H3;6H,3-5H2,1-2H3;1H4.
What are the key properties of 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?
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 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-methyl-5-methylidenepyrrolidin-2-one;methane;3-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 159150265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).