(3R)-3-bromo-1-pyrrolidin-3-ylpyrrolidin-2-one

C8H13BrN2O — CID 67415848

IUPAC(3R)-3-bromo-1-pyrrolidin-3-ylpyrrolidin-2-one
SMILESO=C1[C@H](Br)CCN1C1CCNC1
InChIInChI=1S/C8H13BrN2O/c9-7-2-4-11(8(7)12)6-1-3-10-5-6/h6-7,10H,1-5H2/t6?,7-/m1/s1
InChIKeyOCNYDXCXKFBBNS-COBSHVIPSA-N
MW233.11 g/mol
LogP0.34
Rot. Bonds1

About (3R)-3-bromo-1-pyrrolidin-3-ylpyrrolidin-2-one

(3R)-3-bromo-1-pyrrolidin-3-ylpyrrolidin-2-one (PubChem CID 67415848) has the molecular formula C8H13BrN2O and a molecular weight of 233.11 g/mol. Its IUPAC name is (3R)-3-bromo-1-pyrrolidin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-bromo-1-pyrrolidin-3-ylpyrrolidin-2-one
PubChem CID67415848
Molecular FormulaC8H13BrN2O
Molecular Weight233.11 g/mol
Exact Mass232.02
IUPAC Name(3R)-3-bromo-1-pyrrolidin-3-ylpyrrolidin-2-one
SMILESO=C1[C@H](Br)CCN1C1CCNC1
InChIInChI=1S/C8H13BrN2O/c9-7-2-4-11(8(7)12)6-1-3-10-5-6/h6-7,10H,1-5H2/t6?,7-/m1/s1
InChIKeyOCNYDXCXKFBBNS-COBSHVIPSA-N
XLogP0.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-3-bromo-1-pyrrolidin-3-ylpyrrolidin-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 (3R)-3-bromo-1-pyrrolidin-3-ylpyrrolidin-2-one?
The IUPAC name of (3R)-3-bromo-1-pyrrolidin-3-ylpyrrolidin-2-one (CID 67415848) is (3R)-3-bromo-1-pyrrolidin-3-ylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-bromo-1-pyrrolidin-3-ylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-bromo-1-pyrrolidin-3-ylpyrrolidin-2-one is O=C1[C@H](Br)CCN1C1CCNC1.
What is the InChIKey of (3R)-3-bromo-1-pyrrolidin-3-ylpyrrolidin-2-one?
The InChIKey is OCNYDXCXKFBBNS-COBSHVIPSA-N. The full InChI is InChI=1S/C8H13BrN2O/c9-7-2-4-11(8(7)12)6-1-3-10-5-6/h6-7,10H,1-5H2/t6?,7-/m1/s1.
What are the key properties of (3R)-3-bromo-1-pyrrolidin-3-ylpyrrolidin-2-one?
(3R)-3-bromo-1-pyrrolidin-3-ylpyrrolidin-2-one has a molecular weight of 233.11 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-bromo-1-pyrrolidin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 67415848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).