3-(3-morpholin-4-ylpropylamino)pyrrolidine-2,5-dione

C11H19N3O3 — CID 43637883

IUPAC3-(3-morpholin-4-ylpropylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCCN2CCOCC2)C(=O)N1
InChIInChI=1S/C11H19N3O3/c15-10-8-9(11(16)13-10)12-2-1-3-14-4-6-17-7-5-14/h9,12H,1-8H2,(H,13,15,16)
InChIKeyBWLIKSIGSZJPRH-UHFFFAOYSA-N
MW241.29 g/mol
LogP-1.29
Rot. Bonds5

About 3-(3-morpholin-4-ylpropylamino)pyrrolidine-2,5-dione

3-(3-morpholin-4-ylpropylamino)pyrrolidine-2,5-dione (PubChem CID 43637883) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpropylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpropylamino)pyrrolidine-2,5-dione
PubChem CID43637883
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-(3-morpholin-4-ylpropylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCCN2CCOCC2)C(=O)N1
InChIInChI=1S/C11H19N3O3/c15-10-8-9(11(16)13-10)12-2-1-3-14-4-6-17-7-5-14/h9,12H,1-8H2,(H,13,15,16)
InChIKeyBWLIKSIGSZJPRH-UHFFFAOYSA-N
XLogP-1.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpropylamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3-morpholin-4-ylpropylamino)pyrrolidine-2,5-dione (CID 43637883) is 3-(3-morpholin-4-ylpropylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-morpholin-4-ylpropylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-morpholin-4-ylpropylamino)pyrrolidine-2,5-dione is O=C1CC(NCCCN2CCOCC2)C(=O)N1.
What is the InChIKey of 3-(3-morpholin-4-ylpropylamino)pyrrolidine-2,5-dione?
The InChIKey is BWLIKSIGSZJPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c15-10-8-9(11(16)13-10)12-2-1-3-14-4-6-17-7-5-14/h9,12H,1-8H2,(H,13,15,16).
What are the key properties of 3-(3-morpholin-4-ylpropylamino)pyrrolidine-2,5-dione?
3-(3-morpholin-4-ylpropylamino)pyrrolidine-2,5-dione has a molecular weight of 241.29 g/mol, XLogP of -1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpropylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43637883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).