1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione

C13H23NO4 — CID 170045082

IUPAC1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCCOCCOCCN1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C13H23NO4/c1-4-17-7-8-18-6-5-14-12(15)9-11(10(2)3)13(14)16/h10-11H,4-9H2,1-3H3
InChIKeyJTBAVMVYCZWVDT-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.07
Rot. Bonds8

About 1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione

1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 170045082) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID170045082
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCCOCCOCCN1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C13H23NO4/c1-4-17-7-8-18-6-5-14-12(15)9-11(10(2)3)13(14)16/h10-11H,4-9H2,1-3H3
InChIKeyJTBAVMVYCZWVDT-UHFFFAOYSA-N
XLogP1.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 118459071
ethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 176682927
3-tert-butyl-1-(2-ethoxyethyl)pyrrolidine-2,5-dione
CID 177273757
1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione;molecular fluorine
CID 90684882
1-(2-ethoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 58841262
1-(2-ethoxyethyl)-3-(methylamino)pyrrolidine-2,5-dione
CID 58841268
N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-3-[2-(3-methylbutoxy)ethoxy]propanamide
CID 153317713
1-[6-(3-methylbutoxy)-4-oxohexyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 157219213
1-(5-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 130267117
1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 58021036
ethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 170724271
1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 154612252

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione (CID 170045082) is 1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione is CCOCCOCCN1C(=O)CC(C(C)C)C1=O.
What is the InChIKey of 1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is JTBAVMVYCZWVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-4-17-7-8-18-6-5-14-12(15)9-11(10(2)3)13(14)16/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione?
1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 257.33 g/mol, XLogP of 1.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 170045082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).