1-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrrolidine-2,5-dione

C12H18N2O4 — CID 122178891

IUPAC1-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrrolidine-2,5-dione
SMILESCCC(C(=O)N1CCOCC1)N1C(=O)CCC1=O
InChIInChI=1S/C12H18N2O4/c1-2-9(14-10(15)3-4-11(14)16)12(17)13-5-7-18-8-6-13/h9H,2-8H2,1H3
InChIKeyYSFYZUUVUNAKOE-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.23
Rot. Bonds3

About 1-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrrolidine-2,5-dione

1-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrrolidine-2,5-dione (PubChem CID 122178891) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrrolidine-2,5-dione
PubChem CID122178891
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name1-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrrolidine-2,5-dione
SMILESCCC(C(=O)N1CCOCC1)N1C(=O)CCC1=O
InChIInChI=1S/C12H18N2O4/c1-2-9(14-10(15)3-4-11(14)16)12(17)13-5-7-18-8-6-13/h9H,2-8H2,1H3
InChIKeyYSFYZUUVUNAKOE-UHFFFAOYSA-N
XLogP-0.23
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1-morpholin-4-yl-1-oxobutan-2-yl)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 1-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrrolidine-2,5-dione (CID 122178891) is 1-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrrolidine-2,5-dione is CCC(C(=O)N1CCOCC1)N1C(=O)CCC1=O.
What is the InChIKey of 1-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrrolidine-2,5-dione?
The InChIKey is YSFYZUUVUNAKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-2-9(14-10(15)3-4-11(14)16)12(17)13-5-7-18-8-6-13/h9H,2-8H2,1H3.
What are the key properties of 1-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrrolidine-2,5-dione?
1-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrrolidine-2,5-dione has a molecular weight of 254.29 g/mol, XLogP of -0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 122178891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).