1-[1-(2-ethyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione

C10H15NO3 — CID 122459363

IUPAC1-[1-(2-ethyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione
SMILESCCC1(C(C)N2C(=O)CCC2=O)CO1
InChIInChI=1S/C10H15NO3/c1-3-10(6-14-10)7(2)11-8(12)4-5-9(11)13/h7H,3-6H2,1-2H3
InChIKeyNNPOHEZVABIMNT-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.70
Rot. Bonds3

About 1-[1-(2-ethyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione

1-[1-(2-ethyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 122459363) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-[1-(2-ethyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(2-ethyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID122459363
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-[1-(2-ethyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione
SMILESCCC1(C(C)N2C(=O)CCC2=O)CO1
InChIInChI=1S/C10H15NO3/c1-3-10(6-14-10)7(2)11-8(12)4-5-9(11)13/h7H,3-6H2,1-2H3
InChIKeyNNPOHEZVABIMNT-UHFFFAOYSA-N
XLogP0.70
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylpentan-2-yl)pyrrolidine-2,5-dione
CID 126487377
1-(3-methylbutan-2-yl)pyrrolidine-2,5-dione
CID 122537450
1-(1-aminopropyl)pyrrolidine-2,5-dione
CID 155092296
1-[1-[bis[1-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]pyrrolidine-2,5-dione
CID 18758823
1-(1-butoxyethyl)pyrrolidine-2,5-dione
CID 24975057
1-pentan-2-ylpiperidine-2,6-dione
CID 130638251
5-methylidene-1-pentan-3-ylpyrrolidin-2-one
CID 89100562
2-(2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 2770225
1-(2-hydroxy-2-methylpentan-3-yl)pyrrolidine-2,5-dione
CID 127013554
2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid
CID 173433095
1-(4,4-diethoxy-1-silylbutyl)pyrrolidine-2,5-dione
CID 174895651
1-(3-hydroxypentan-2-yl)piperidine-2,6-dione
CID 130893283

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(2-ethyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione (CID 122459363) is 1-[1-(2-ethyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(2-ethyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(2-ethyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione is CCC1(C(C)N2C(=O)CCC2=O)CO1.
What is the InChIKey of 1-[1-(2-ethyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is NNPOHEZVABIMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-10(6-14-10)7(2)11-8(12)4-5-9(11)13/h7H,3-6H2,1-2H3.
What are the key properties of 1-[1-(2-ethyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione?
1-[1-(2-ethyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 197.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 122459363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).