4-(4-aminobutyl)-3-ethyl-3-methylpyrrolidine-2,5-dione

C11H20N2O2 — CID 70472501

IUPAC4-(4-aminobutyl)-3-ethyl-3-methylpyrrolidine-2,5-dione
SMILESCCC1(C)C(=O)NC(=O)C1CCCCN
InChIInChI=1S/C11H20N2O2/c1-3-11(2)8(6-4-5-7-12)9(14)13-10(11)15/h8H,3-7,12H2,1-2H3,(H,13,14,15)
InChIKeyBUEOLOVTGALPET-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.80
Rot. Bonds5

About 4-(4-aminobutyl)-3-ethyl-3-methylpyrrolidine-2,5-dione

4-(4-aminobutyl)-3-ethyl-3-methylpyrrolidine-2,5-dione (PubChem CID 70472501) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(4-aminobutyl)-3-ethyl-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name4-(4-aminobutyl)-3-ethyl-3-methylpyrrolidine-2,5-dione
PubChem CID70472501
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-(4-aminobutyl)-3-ethyl-3-methylpyrrolidine-2,5-dione
SMILESCCC1(C)C(=O)NC(=O)C1CCCCN
InChIInChI=1S/C11H20N2O2/c1-3-11(2)8(6-4-5-7-12)9(14)13-10(11)15/h8H,3-7,12H2,1-2H3,(H,13,14,15)
InChIKeyBUEOLOVTGALPET-UHFFFAOYSA-N
XLogP0.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-aminobutyl)-3-ethyl-3-methylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Methyl-2-azaspiro(4.5)decane-1,3-dione
CID 43155384
3-Octylpyrrolidin-2-one
CID 3089262
3-Dodecylpyrrolidine-2,5-dione
CID 13880212
Decylsuccinimide
CID 12539697
2,5-Pyrrolidinedione, 3-hexyl-
CID 14694511
3-Octadecylpyrrolidine-2,5-dione
CID 18183895
6-Methyl-2-azaspiro[4.5]decane-1,3-dione
CID 12481018
Di-dodecyl succinimide
CID 129854722
4-(4-Iodobutyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 134993148
Dimethyl-1,1,1-d3-aminobutyryl succinimide hydrochloride
CID 138373782
4-Hexan-2-ylpyrrolidin-2-one
CID 10630969
8-Propan-2-yl-2-azaspiro[4.5]decan-3-one
CID 10750367

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutyl)-3-ethyl-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 4-(4-aminobutyl)-3-ethyl-3-methylpyrrolidine-2,5-dione (CID 70472501) is 4-(4-aminobutyl)-3-ethyl-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 4-(4-aminobutyl)-3-ethyl-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 4-(4-aminobutyl)-3-ethyl-3-methylpyrrolidine-2,5-dione is CCC1(C)C(=O)NC(=O)C1CCCCN.
What is the InChIKey of 4-(4-aminobutyl)-3-ethyl-3-methylpyrrolidine-2,5-dione?
The InChIKey is BUEOLOVTGALPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-11(2)8(6-4-5-7-12)9(14)13-10(11)15/h8H,3-7,12H2,1-2H3,(H,13,14,15).
What are the key properties of 4-(4-aminobutyl)-3-ethyl-3-methylpyrrolidine-2,5-dione?
4-(4-aminobutyl)-3-ethyl-3-methylpyrrolidine-2,5-dione has a molecular weight of 212.29 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutyl)-3-ethyl-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 70472501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).