1-cyclopentyl-3-morpholin-4-ylpyrrolidine-2,5-dione

C13H20N2O3 — CID 6457912

IUPAC1-cyclopentyl-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCOCC2)C(=O)N1C1CCCC1
InChIInChI=1S/C13H20N2O3/c16-12-9-11(14-5-7-18-8-6-14)13(17)15(12)10-3-1-2-4-10/h10-11H,1-9H2
InChIKeyHBVMFTRMJDAZTB-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.39
Rot. Bonds2

About 1-cyclopentyl-3-morpholin-4-ylpyrrolidine-2,5-dione

1-cyclopentyl-3-morpholin-4-ylpyrrolidine-2,5-dione (PubChem CID 6457912) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-cyclopentyl-3-morpholin-4-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-morpholin-4-ylpyrrolidine-2,5-dione
PubChem CID6457912
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-cyclopentyl-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCOCC2)C(=O)N1C1CCCC1
InChIInChI=1S/C13H20N2O3/c16-12-9-11(14-5-7-18-8-6-14)13(17)15(12)10-3-1-2-4-10/h10-11H,1-9H2
InChIKeyHBVMFTRMJDAZTB-UHFFFAOYSA-N
XLogP0.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-morpholin-4-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-morpholin-4-ylpyrrolidine-2,5-dione (CID 6457912) is 1-cyclopentyl-3-morpholin-4-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-morpholin-4-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-morpholin-4-ylpyrrolidine-2,5-dione is O=C1CC(N2CCOCC2)C(=O)N1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-morpholin-4-ylpyrrolidine-2,5-dione?
The InChIKey is HBVMFTRMJDAZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-12-9-11(14-5-7-18-8-6-14)13(17)15(12)10-3-1-2-4-10/h10-11H,1-9H2.
What are the key properties of 1-cyclopentyl-3-morpholin-4-ylpyrrolidine-2,5-dione?
1-cyclopentyl-3-morpholin-4-ylpyrrolidine-2,5-dione has a molecular weight of 252.31 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-morpholin-4-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 6457912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).