1-(2-methylpropyl)-3-morpholin-4-ylpyrrolidine-2,5-dione

C12H20N2O3 — CID 2987585

IUPAC1-(2-methylpropyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESCC(C)CN1C(=O)CC(N2CCOCC2)C1=O
InChIInChI=1S/C12H20N2O3/c1-9(2)8-14-11(15)7-10(12(14)16)13-3-5-17-6-4-13/h9-10H,3-8H2,1-2H3
InChIKeySJIMBKYHFXIUBX-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.10
Rot. Bonds3

About 1-(2-methylpropyl)-3-morpholin-4-ylpyrrolidine-2,5-dione

1-(2-methylpropyl)-3-morpholin-4-ylpyrrolidine-2,5-dione (PubChem CID 2987585) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-morpholin-4-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
PubChem CID2987585
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(2-methylpropyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESCC(C)CN1C(=O)CC(N2CCOCC2)C1=O
InChIInChI=1S/C12H20N2O3/c1-9(2)8-14-11(15)7-10(12(14)16)13-3-5-17-6-4-13/h9-10H,3-8H2,1-2H3
InChIKeySJIMBKYHFXIUBX-UHFFFAOYSA-N
XLogP0.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.10
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-(2-methylpropyl)-3-morpholin-4-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-methylpropyl)-3-morpholin-4-ylpyrrolidine-2,5-dione (CID 2987585) is 1-(2-methylpropyl)-3-morpholin-4-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-methylpropyl)-3-morpholin-4-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-methylpropyl)-3-morpholin-4-ylpyrrolidine-2,5-dione is CC(C)CN1C(=O)CC(N2CCOCC2)C1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-morpholin-4-ylpyrrolidine-2,5-dione?
The InChIKey is SJIMBKYHFXIUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9(2)8-14-11(15)7-10(12(14)16)13-3-5-17-6-4-13/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-morpholin-4-ylpyrrolidine-2,5-dione?
1-(2-methylpropyl)-3-morpholin-4-ylpyrrolidine-2,5-dione has a molecular weight of 240.30 g/mol, XLogP of 0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-morpholin-4-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 2987585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).