3-bromo-1-(1-morpholin-4-ylpropan-2-yl)pyrrolidin-2-one

C11H19BrN2O2 — CID 63788236

IUPAC3-bromo-1-(1-morpholin-4-ylpropan-2-yl)pyrrolidin-2-one
SMILESCC(CN1CCOCC1)N1CCC(Br)C1=O
InChIInChI=1S/C11H19BrN2O2/c1-9(8-13-4-6-16-7-5-13)14-3-2-10(12)11(14)15/h9-10H,2-8H2,1H3
InChIKeyPOGYXTVAOBJGTK-UHFFFAOYSA-N
MW291.19 g/mol
LogP0.70
Rot. Bonds3

About 3-bromo-1-(1-morpholin-4-ylpropan-2-yl)pyrrolidin-2-one

3-bromo-1-(1-morpholin-4-ylpropan-2-yl)pyrrolidin-2-one (PubChem CID 63788236) has the molecular formula C11H19BrN2O2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 3-bromo-1-(1-morpholin-4-ylpropan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-bromo-1-(1-morpholin-4-ylpropan-2-yl)pyrrolidin-2-one
PubChem CID63788236
Molecular FormulaC11H19BrN2O2
Molecular Weight291.19 g/mol
Exact Mass290.06
IUPAC Name3-bromo-1-(1-morpholin-4-ylpropan-2-yl)pyrrolidin-2-one
SMILESCC(CN1CCOCC1)N1CCC(Br)C1=O
InChIInChI=1S/C11H19BrN2O2/c1-9(8-13-4-6-16-7-5-13)14-3-2-10(12)11(14)15/h9-10H,2-8H2,1H3
InChIKeyPOGYXTVAOBJGTK-UHFFFAOYSA-N
XLogP0.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-1-(1-morpholin-4-ylpropan-2-yl)pyrrolidin-2-one 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-bromo-1-(1-morpholin-4-ylpropan-2-yl)pyrrolidin-2-one?
The IUPAC name of 3-bromo-1-(1-morpholin-4-ylpropan-2-yl)pyrrolidin-2-one (CID 63788236) is 3-bromo-1-(1-morpholin-4-ylpropan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-bromo-1-(1-morpholin-4-ylpropan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 3-bromo-1-(1-morpholin-4-ylpropan-2-yl)pyrrolidin-2-one is CC(CN1CCOCC1)N1CCC(Br)C1=O.
What is the InChIKey of 3-bromo-1-(1-morpholin-4-ylpropan-2-yl)pyrrolidin-2-one?
The InChIKey is POGYXTVAOBJGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2/c1-9(8-13-4-6-16-7-5-13)14-3-2-10(12)11(14)15/h9-10H,2-8H2,1H3.
What are the key properties of 3-bromo-1-(1-morpholin-4-ylpropan-2-yl)pyrrolidin-2-one?
3-bromo-1-(1-morpholin-4-ylpropan-2-yl)pyrrolidin-2-one has a molecular weight of 291.19 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(1-morpholin-4-ylpropan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 63788236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).