1-methyl-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione

C17H29NO2 — CID 90362511

IUPAC1-methyl-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
SMILESC=C(CC1CC(=O)N(C)C1=O)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H29NO2/c1-12(10-17(5,6)11-16(2,3)4)8-13-9-14(19)18(7)15(13)20/h13H,1,8-11H2,2-7H3
InChIKeyQUECSQJILWVMKY-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.79
Rot. Bonds5

About 1-methyl-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione

1-methyl-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione (PubChem CID 90362511) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-methyl-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
PubChem CID90362511
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-methyl-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
SMILESC=C(CC1CC(=O)N(C)C1=O)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H29NO2/c1-12(10-17(5,6)11-16(2,3)4)8-13-9-14(19)18(7)15(13)20/h13H,1,8-11H2,2-7H3
InChIKeyQUECSQJILWVMKY-UHFFFAOYSA-N
XLogP3.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione (CID 90362511) is 1-methyl-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione is C=C(CC1CC(=O)N(C)C1=O)CC(C)(C)CC(C)(C)C.
What is the InChIKey of 1-methyl-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
The InChIKey is QUECSQJILWVMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-12(10-17(5,6)11-16(2,3)4)8-13-9-14(19)18(7)15(13)20/h13H,1,8-11H2,2-7H3.
What are the key properties of 1-methyl-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
1-methyl-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione has a molecular weight of 279.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 90362511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).