4-ethyl-3,3-dimethylpyrrolidine-2,5-dione

C8H13NO2 — CID 523535

IUPAC4-ethyl-3,3-dimethylpyrrolidine-2,5-dione
SMILESCCC1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C8H13NO2/c1-4-5-6(10)9-7(11)8(5,2)3/h5H,4H2,1-3H3,(H,9,10,11)
InChIKeyJUYYOZHFPKRYCN-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.70
Rot. Bonds1

About 4-ethyl-3,3-dimethylpyrrolidine-2,5-dione

4-ethyl-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 523535) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-ethyl-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name4-ethyl-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID523535
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-ethyl-3,3-dimethylpyrrolidine-2,5-dione
SMILESCCC1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C8H13NO2/c1-4-5-6(10)9-7(11)8(5,2)3/h5H,4H2,1-3H3,(H,9,10,11)
InChIKeyJUYYOZHFPKRYCN-UHFFFAOYSA-N
XLogP0.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethyl-3,3-dimethylpyrrolidine-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

3-(4,4-dimethyl-2,5-dioxopyrrolidin-3-yl)propanoic acid
CID 121488149
3-ethyl-4-hydroxy-3-methylpyrrolidine-2,5-dione
CID 54322773
4-ethyl-3,3-dimethylpyrrolidin-2-one
CID 144542846
3-ethyl-4,4-dipropylpiperidine-2,6-dione
CID 79321261
3,3,5-triethylpiperidine-2,4,6-trione
CID 121218732
2-chloro-4-ethyl-3,3-dimethylcyclobutan-1-one
CID 21431849
3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64883670
ethane;5-ethyl-1,3-diazinane-2,4,6-trione
CID 142836832
3,3,5-trimethylpiperazine-2,6-dione
CID 130597100
2-ethyl-3,3,4-trimethylcyclopentan-1-one
CID 14218824
3,10-diethyl-8-azaspiro[4.5]decane-7,9-dione
CID 79321543
ethane;3-ethyl-5,5-dimethylpyrrolidin-2-one
CID 167482044

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 4-ethyl-3,3-dimethylpyrrolidine-2,5-dione (CID 523535) is 4-ethyl-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 4-ethyl-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 4-ethyl-3,3-dimethylpyrrolidine-2,5-dione is CCC1C(=O)NC(=O)C1(C)C.
What is the InChIKey of 4-ethyl-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is JUYYOZHFPKRYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-5-6(10)9-7(11)8(5,2)3/h5H,4H2,1-3H3,(H,9,10,11).
What are the key properties of 4-ethyl-3,3-dimethylpyrrolidine-2,5-dione?
4-ethyl-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 155.20 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 523535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).