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

C11H15NO2 — CID 13247225

IUPAC1-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCC1=CCCC1
InChIInChI=1S/C11H15NO2/c13-10-5-6-11(14)12(10)8-7-9-3-1-2-4-9/h3H,1-2,4-8H2
InChIKeySKOFBIKGUNTDGU-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.64
Rot. Bonds3

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

1-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 13247225) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID13247225
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCC1=CCCC1
InChIInChI=1S/C11H15NO2/c13-10-5-6-11(14)12(10)8-7-9-3-1-2-4-9/h3H,1-2,4-8H2
InChIKeySKOFBIKGUNTDGU-UHFFFAOYSA-N
XLogP1.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2,5-dione (CID 13247225) is 1-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCC1=CCCC1.
What is the InChIKey of 1-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is SKOFBIKGUNTDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-10-5-6-11(14)12(10)8-7-9-3-1-2-4-9/h3H,1-2,4-8H2.
What are the key properties of 1-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2,5-dione?
1-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 193.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 13247225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).