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

C25H43N3O2 — CID 158646105

IUPAC1-ethyl-3-methyl-5-methylidenepyrrolidin-2-one;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one
SMILESC=C1CC(C)C(=O)N1CC.C=C1CC(C)C(=O)N1CC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C17H30N2O.C8H13NO/c1-12-8-13(2)19(15(12)20)11-14-9-16(3,4)18(7)17(5,6)10-14;1-4-9-7(3)5-6(2)8(9)10/h12,14H,2,8-11H2,1,3-7H3;6H,3-5H2,1-2H3
InChIKeyIAZHQLAYPIYSKR-UHFFFAOYSA-N
MW417.64 g/mol
LogP4.66
Rot. Bonds3

About 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

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 (PubChem CID 158646105) has the molecular formula C25H43N3O2 and a molecular weight of 417.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-methylidenepyrrolidin-2-one;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one
PubChem CID158646105
Molecular FormulaC25H43N3O2
Molecular Weight417.64 g/mol
Exact Mass417.34
IUPAC Name1-ethyl-3-methyl-5-methylidenepyrrolidin-2-one;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one
SMILESC=C1CC(C)C(=O)N1CC.C=C1CC(C)C(=O)N1CC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C17H30N2O.C8H13NO/c1-12-8-13(2)19(15(12)20)11-14-9-16(3,4)18(7)17(5,6)10-14;1-4-9-7(3)5-6(2)8(9)10/h12,14H,2,8-11H2,1,3-7H3;6H,3-5H2,1-2H3
InChIKeyIAZHQLAYPIYSKR-UHFFFAOYSA-N
XLogP4.66
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.64
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,2-trimethyl-5-azaspiro[2.4]heptane-4,6-dione
CID 167134000
3-tert-butyl-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione
CID 147841672
(3S)-1-butyl-3-methylpyrrolidine-2,5-dione
CID 98085422
1-butyl-3-methylpyrrolidine-2,5-dione
CID 15757781
butane;1,2,2,4,6,6-hexamethylpiperidine;methane
CID 158536756
1,3,5,5-tetramethylpyrrolidin-2-one
CID 58984178
3-methyl-1-propylpyrrolidine-2,5-dione;nonane
CID 163913553
1-hydroxy-2,2-dimethyl-6-methylidenepiperidine-4-carboxylic acid
CID 89178801
ethane;1-ethyl-3-methylpiperidine-2,6-dione
CID 177191793
CID 59941556
CID 59941556
1,2,2,4,6,6-hexamethylpiperidine;vanadium
CID 159209902
1,2,2,4,6,6-hexamethylpiperidine;methane
CID 159576451

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1CC(C)C(=O)N1CC.C=C1CC(C)C(=O)N1CC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 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?
The InChIKey is IAZHQLAYPIYSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O.C8H13NO/c1-12-8-13(2)19(15(12)20)11-14-9-16(3,4)18(7)17(5,6)10-14;1-4-9-7(3)5-6(2)8(9)10/h12,14H,2,8-11H2,1,3-7H3;6H,3-5H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 417.64 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158646105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).