(3S)-3-morpholin-4-ylpyrrolidine-2,5-dione

C8H12N2O3 — CID 699858

IUPAC(3S)-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCOCC2)C(=O)N1
InChIInChI=1S/C8H12N2O3/c11-7-5-6(8(12)9-7)10-1-3-13-4-2-10/h6H,1-5H2,(H,9,11,12)/t6-/m0/s1
InChIKeyUYDKOSYWGWXDRQ-LURJTMIESA-N
MW184.19 g/mol
LogP-1.27
Rot. Bonds1

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

(3S)-3-morpholin-4-ylpyrrolidine-2,5-dione (PubChem CID 699858) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is (3S)-3-morpholin-4-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-morpholin-4-ylpyrrolidine-2,5-dione
PubChem CID699858
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name(3S)-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCOCC2)C(=O)N1
InChIInChI=1S/C8H12N2O3/c11-7-5-6(8(12)9-7)10-1-3-13-4-2-10/h6H,1-5H2,(H,9,11,12)/t6-/m0/s1
InChIKeyUYDKOSYWGWXDRQ-LURJTMIESA-N
XLogP-1.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
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 (3S)-3-morpholin-4-ylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-morpholin-4-ylpyrrolidine-2,5-dione (CID 699858) is (3S)-3-morpholin-4-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-morpholin-4-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-morpholin-4-ylpyrrolidine-2,5-dione is O=C1C[C@H](N2CCOCC2)C(=O)N1.
What is the InChIKey of (3S)-3-morpholin-4-ylpyrrolidine-2,5-dione?
The InChIKey is UYDKOSYWGWXDRQ-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O3/c11-7-5-6(8(12)9-7)10-1-3-13-4-2-10/h6H,1-5H2,(H,9,11,12)/t6-/m0/s1.
What are the key properties of (3S)-3-morpholin-4-ylpyrrolidine-2,5-dione?
(3S)-3-morpholin-4-ylpyrrolidine-2,5-dione has a molecular weight of 184.19 g/mol, XLogP of -1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-morpholin-4-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 699858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).