4-ethyl-1,4-dimethylpyrrolidine-2,3-dione

C8H13NO2 — CID 141176077

IUPAC4-ethyl-1,4-dimethylpyrrolidine-2,3-dione
SMILESCCC1(C)CN(C)C(=O)C1=O
InChIInChI=1S/C8H13NO2/c1-4-8(2)5-9(3)7(11)6(8)10/h4-5H2,1-3H3
InChIKeyLDZFMHHYUHVLAC-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.44
Rot. Bonds1

About 4-ethyl-1,4-dimethylpyrrolidine-2,3-dione

4-ethyl-1,4-dimethylpyrrolidine-2,3-dione (PubChem CID 141176077) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-ethyl-1,4-dimethylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-ethyl-1,4-dimethylpyrrolidine-2,3-dione
PubChem CID141176077
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-ethyl-1,4-dimethylpyrrolidine-2,3-dione
SMILESCCC1(C)CN(C)C(=O)C1=O
InChIInChI=1S/C8H13NO2/c1-4-8(2)5-9(3)7(11)6(8)10/h4-5H2,1-3H3
InChIKeyLDZFMHHYUHVLAC-UHFFFAOYSA-N
XLogP0.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,4-dimethylpyrrolidine-2,3-dione?
The IUPAC name of 4-ethyl-1,4-dimethylpyrrolidine-2,3-dione (CID 141176077) is 4-ethyl-1,4-dimethylpyrrolidine-2,3-dione.
What is the SMILES notation for 4-ethyl-1,4-dimethylpyrrolidine-2,3-dione?
The canonical SMILES for 4-ethyl-1,4-dimethylpyrrolidine-2,3-dione is CCC1(C)CN(C)C(=O)C1=O.
What is the InChIKey of 4-ethyl-1,4-dimethylpyrrolidine-2,3-dione?
The InChIKey is LDZFMHHYUHVLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-8(2)5-9(3)7(11)6(8)10/h4-5H2,1-3H3.
What are the key properties of 4-ethyl-1,4-dimethylpyrrolidine-2,3-dione?
4-ethyl-1,4-dimethylpyrrolidine-2,3-dione has a molecular weight of 155.20 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,4-dimethylpyrrolidine-2,3-dione is sourced from PubChem (CID 141176077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).