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

C15H27N3O3 — CID 43637986

IUPAC3-(2-morpholin-4-ylethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESCCC(CC)N1C(=O)CC(NCCN2CCOCC2)C1=O
InChIInChI=1S/C15H27N3O3/c1-3-12(4-2)18-14(19)11-13(15(18)20)16-5-6-17-7-9-21-10-8-17/h12-13,16H,3-11H2,1-2H3
InChIKeyAJFWSWQRUIVCLG-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.22
Rot. Bonds7

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

3-(2-morpholin-4-ylethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione (PubChem CID 43637986) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
PubChem CID43637986
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-(2-morpholin-4-ylethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESCCC(CC)N1C(=O)CC(NCCN2CCOCC2)C1=O
InChIInChI=1S/C15H27N3O3/c1-3-12(4-2)18-14(19)11-13(15(18)20)16-5-6-17-7-9-21-10-8-17/h12-13,16H,3-11H2,1-2H3
InChIKeyAJFWSWQRUIVCLG-UHFFFAOYSA-N
XLogP0.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-morpholin-4-ylethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione (CID 43637986) is 3-(2-morpholin-4-ylethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-morpholin-4-ylethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-morpholin-4-ylethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione is CCC(CC)N1C(=O)CC(NCCN2CCOCC2)C1=O.
What is the InChIKey of 3-(2-morpholin-4-ylethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione?
The InChIKey is AJFWSWQRUIVCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-12(4-2)18-14(19)11-13(15(18)20)16-5-6-17-7-9-21-10-8-17/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 3-(2-morpholin-4-ylethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione?
3-(2-morpholin-4-ylethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione has a molecular weight of 297.40 g/mol, XLogP of 0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 43637986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).