3-(1,4-dioxan-2-ylmethylamino)pyrrolidine-2,5-dione

C9H14N2O4 — CID 61024737

IUPAC3-(1,4-dioxan-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCC2COCCO2)C(=O)N1
InChIInChI=1S/C9H14N2O4/c12-8-3-7(9(13)11-8)10-4-6-5-14-1-2-15-6/h6-7,10H,1-5H2,(H,11,12,13)
InChIKeyJETCOSMBZJLXEQ-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.59
Rot. Bonds3

About 3-(1,4-dioxan-2-ylmethylamino)pyrrolidine-2,5-dione

3-(1,4-dioxan-2-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 61024737) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(1,4-dioxan-2-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1,4-dioxan-2-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID61024737
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name3-(1,4-dioxan-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCC2COCCO2)C(=O)N1
InChIInChI=1S/C9H14N2O4/c12-8-3-7(9(13)11-8)10-4-6-5-14-1-2-15-6/h6-7,10H,1-5H2,(H,11,12,13)
InChIKeyJETCOSMBZJLXEQ-UHFFFAOYSA-N
XLogP-1.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1,4-dioxan-2-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

Related Compounds

3-Morpholin-4-ylpyrrolidine-2,5-dione
CID 4131759
3-[4-(3-Aminopropyl)morpholin-4-ium-4-yl]pyrrolidine-2,5-dione
CID 20388174
3-[4-[3-(Methylamino)propyl]morpholin-4-ium-4-yl]pyrrolidine-2,5-dione
CID 87456034
(3S)-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 699858
(3R)-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 699861
3-Morpholin-4-ium-4-ylpyrrolidine-2,5-dione
CID 4131758
(3S)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
CID 6923230
(3R)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
CID 6923231
3-(2-Morpholin-4-ylethylamino)pyrrolidine-2,5-dione
CID 43637711
3-(3-Morpholin-4-ylpropylamino)pyrrolidine-2,5-dione
CID 43637883
3-(2-Ethoxyethylamino)pyrrolidine-2,5-dione
CID 43637926
1-Butan-2-yl-3-(1,4-dioxan-2-ylmethylamino)pyrrolidine-2,5-dione
CID 54907502

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxan-2-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(1,4-dioxan-2-ylmethylamino)pyrrolidine-2,5-dione (CID 61024737) is 3-(1,4-dioxan-2-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1,4-dioxan-2-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(1,4-dioxan-2-ylmethylamino)pyrrolidine-2,5-dione is O=C1CC(NCC2COCCO2)C(=O)N1.
What is the InChIKey of 3-(1,4-dioxan-2-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is JETCOSMBZJLXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c12-8-3-7(9(13)11-8)10-4-6-5-14-1-2-15-6/h6-7,10H,1-5H2,(H,11,12,13).
What are the key properties of 3-(1,4-dioxan-2-ylmethylamino)pyrrolidine-2,5-dione?
3-(1,4-dioxan-2-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 214.22 g/mol, XLogP of -1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxan-2-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 61024737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).