3-tert-butyl-1-(2-ethoxyethyl)pyrrolidine-2,5-dione

C12H21NO3 — CID 177273757

IUPAC3-tert-butyl-1-(2-ethoxyethyl)pyrrolidine-2,5-dione
SMILESCCOCCN1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C12H21NO3/c1-5-16-7-6-13-10(14)8-9(11(13)15)12(2,3)4/h9H,5-8H2,1-4H3
InChIKeyFTURWBOGDWFFLQ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.44
Rot. Bonds4

About 3-tert-butyl-1-(2-ethoxyethyl)pyrrolidine-2,5-dione

3-tert-butyl-1-(2-ethoxyethyl)pyrrolidine-2,5-dione (PubChem CID 177273757) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-ethoxyethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(2-ethoxyethyl)pyrrolidine-2,5-dione
PubChem CID177273757
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-tert-butyl-1-(2-ethoxyethyl)pyrrolidine-2,5-dione
SMILESCCOCCN1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C12H21NO3/c1-5-16-7-6-13-10(14)8-9(11(13)15)12(2,3)4/h9H,5-8H2,1-4H3
InChIKeyFTURWBOGDWFFLQ-UHFFFAOYSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 129062101
1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 170045082
1-(2-ethoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 58841262
1-(2-ethoxyethyl)-3-(methylamino)pyrrolidine-2,5-dione
CID 58841268
1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione;molecular fluorine
CID 90684882
3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione
CID 58051575
1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane
CID 164585932
CID 174135070
CID 174135070
3-tert-butyl-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 86073076
6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide
CID 162456959
3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione
CID 163797402
3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide
CID 58242326

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2-ethoxyethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-(2-ethoxyethyl)pyrrolidine-2,5-dione (CID 177273757) is 3-tert-butyl-1-(2-ethoxyethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-(2-ethoxyethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-(2-ethoxyethyl)pyrrolidine-2,5-dione is CCOCCN1C(=O)CC(C(C)(C)C)C1=O.
What is the InChIKey of 3-tert-butyl-1-(2-ethoxyethyl)pyrrolidine-2,5-dione?
The InChIKey is FTURWBOGDWFFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-5-16-7-6-13-10(14)8-9(11(13)15)12(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 3-tert-butyl-1-(2-ethoxyethyl)pyrrolidine-2,5-dione?
3-tert-butyl-1-(2-ethoxyethyl)pyrrolidine-2,5-dione has a molecular weight of 227.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-ethoxyethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 177273757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).