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

C8H13N2O3+ — CID 6923230

IUPAC(3S)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@H]([NH+]2CCOCC2)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)/p+1/t6-/m0/s1
InChIKeyUYDKOSYWGWXDRQ-LURJTMIESA-O
MW185.20 g/mol
LogP-2.68
Rot. Bonds1

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

(3S)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione (PubChem CID 6923230) has the molecular formula C8H13N2O3+ and a molecular weight of 185.20 g/mol. Its IUPAC name is (3S)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
PubChem CID6923230
Molecular FormulaC8H13N2O3+
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name(3S)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@H]([NH+]2CCOCC2)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)/p+1/t6-/m0/s1
InChIKeyUYDKOSYWGWXDRQ-LURJTMIESA-O
XLogP-2.68
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 5-2.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ium-4-ylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione (CID 6923230) is (3S)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione is O=C1C[C@H]([NH+]2CCOCC2)C(=O)N1.
What is the InChIKey of (3S)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione?
The InChIKey is UYDKOSYWGWXDRQ-LURJTMIESA-O. 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)/p+1/t6-/m0/s1.
What are the key properties of (3S)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione?
(3S)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione has a molecular weight of 185.20 g/mol, XLogP of -2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 6923230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).