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

C8H11NO3 — CID 13408910

IUPAC1-[2-(oxiran-2-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCC1CO1
InChIInChI=1S/C8H11NO3/c10-7-1-2-8(11)9(7)4-3-6-5-12-6/h6H,1-5H2
InChIKeyIKRCCLNFKWTOTB-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.08
Rot. Bonds3

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

1-[2-(oxiran-2-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 13408910) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-[2-(oxiran-2-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(oxiran-2-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID13408910
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name1-[2-(oxiran-2-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCC1CO1
InChIInChI=1S/C8H11NO3/c10-7-1-2-8(11)9(7)4-3-6-5-12-6/h6H,1-5H2
InChIKeyIKRCCLNFKWTOTB-UHFFFAOYSA-N
XLogP-0.08
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.08
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxiran-2-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(oxiran-2-yl)ethyl]pyrrolidine-2,5-dione (CID 13408910) is 1-[2-(oxiran-2-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(oxiran-2-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(oxiran-2-yl)ethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCC1CO1.
What is the InChIKey of 1-[2-(oxiran-2-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is IKRCCLNFKWTOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-7-1-2-8(11)9(7)4-3-6-5-12-6/h6H,1-5H2.
What are the key properties of 1-[2-(oxiran-2-yl)ethyl]pyrrolidine-2,5-dione?
1-[2-(oxiran-2-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 169.18 g/mol, XLogP of -0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxiran-2-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 13408910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).