3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione

C10H16N2O3 — CID 63726842

IUPAC3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCC2CCOCC2)C(=O)N1
InChIInChI=1S/C10H16N2O3/c13-9-5-8(10(14)12-9)11-6-7-1-3-15-4-2-7/h7-8,11H,1-6H2,(H,12,13,14)
InChIKeyPLJLQMDEKXCFBC-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.58
Rot. Bonds3

About 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione

3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 63726842) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID63726842
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCC2CCOCC2)C(=O)N1
InChIInChI=1S/C10H16N2O3/c13-9-5-8(10(14)12-9)11-6-7-1-3-15-4-2-7/h7-8,11H,1-6H2,(H,12,13,14)
InChIKeyPLJLQMDEKXCFBC-UHFFFAOYSA-N
XLogP-0.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione (CID 63726842) is 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione is O=C1CC(NCC2CCOCC2)C(=O)N1.
What is the InChIKey of 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is PLJLQMDEKXCFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9-5-8(10(14)12-9)11-6-7-1-3-15-4-2-7/h7-8,11H,1-6H2,(H,12,13,14).
What are the key properties of 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione?
3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 212.25 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 63726842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).