3-[2-(cyclopenten-1-yl)ethylamino]pyrrolidine-2,5-dione

C11H16N2O2 — CID 106173593

IUPAC3-[2-(cyclopenten-1-yl)ethylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCCC2=CCCC2)C(=O)N1
InChIInChI=1S/C11H16N2O2/c14-10-7-9(11(15)13-10)12-6-5-8-3-1-2-4-8/h3,9,12H,1-2,4-7H2,(H,13,14,15)
InChIKeyWPSLXDLYKOLIHV-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.49
Rot. Bonds4

About 3-[2-(cyclopenten-1-yl)ethylamino]pyrrolidine-2,5-dione

3-[2-(cyclopenten-1-yl)ethylamino]pyrrolidine-2,5-dione (PubChem CID 106173593) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[2-(cyclopenten-1-yl)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(cyclopenten-1-yl)ethylamino]pyrrolidine-2,5-dione
PubChem CID106173593
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-[2-(cyclopenten-1-yl)ethylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCCC2=CCCC2)C(=O)N1
InChIInChI=1S/C11H16N2O2/c14-10-7-9(11(15)13-10)12-6-5-8-3-1-2-4-8/h3,9,12H,1-2,4-7H2,(H,13,14,15)
InChIKeyWPSLXDLYKOLIHV-UHFFFAOYSA-N
XLogP0.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-[2-(cyclopenten-1-yl)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(cyclopenten-1-yl)ethylamino]pyrrolidine-2,5-dione (CID 106173593) is 3-[2-(cyclopenten-1-yl)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(cyclopenten-1-yl)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(cyclopenten-1-yl)ethylamino]pyrrolidine-2,5-dione is O=C1CC(NCCC2=CCCC2)C(=O)N1.
What is the InChIKey of 3-[2-(cyclopenten-1-yl)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is WPSLXDLYKOLIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10-7-9(11(15)13-10)12-6-5-8-3-1-2-4-8/h3,9,12H,1-2,4-7H2,(H,13,14,15).
What are the key properties of 3-[2-(cyclopenten-1-yl)ethylamino]pyrrolidine-2,5-dione?
3-[2-(cyclopenten-1-yl)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 208.26 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopenten-1-yl)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 106173593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).