5-bromo-1'-phenylspiro[3H-indene-2,3'-pyrrolidine]-1,2'-dione

C18H14BrNO2 — CID 132511016

IUPAC5-bromo-1'-phenylspiro[3H-indene-2,3'-pyrrolidine]-1,2'-dione
SMILESO=C1c2ccc(Br)cc2CC12CCN(c1ccccc1)C2=O
InChIInChI=1S/C18H14BrNO2/c19-13-6-7-15-12(10-13)11-18(16(15)21)8-9-20(17(18)22)14-4-2-1-3-5-14/h1-7,10H,8-9,11H2
InChIKeySSAHSQWTSBHHFH-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.61
Rot. Bonds1

About 5-bromo-1'-phenylspiro[3H-indene-2,3'-pyrrolidine]-1,2'-dione

5-bromo-1'-phenylspiro[3H-indene-2,3'-pyrrolidine]-1,2'-dione (PubChem CID 132511016) has the molecular formula C18H14BrNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 5-bromo-1'-phenylspiro[3H-indene-2,3'-pyrrolidine]-1,2'-dione.

Molecular Properties

Compound Name5-bromo-1'-phenylspiro[3H-indene-2,3'-pyrrolidine]-1,2'-dione
PubChem CID132511016
Molecular FormulaC18H14BrNO2
Molecular Weight356.22 g/mol
Exact Mass355.02
IUPAC Name5-bromo-1'-phenylspiro[3H-indene-2,3'-pyrrolidine]-1,2'-dione
SMILESO=C1c2ccc(Br)cc2CC12CCN(c1ccccc1)C2=O
InChIInChI=1S/C18H14BrNO2/c19-13-6-7-15-12(10-13)11-18(16(15)21)8-9-20(17(18)22)14-4-2-1-3-5-14/h1-7,10H,8-9,11H2
InChIKeySSAHSQWTSBHHFH-UHFFFAOYSA-N
XLogP3.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-bromo-1'-phenylspiro[3H-indene-2,3'-pyrrolidine]-1,2'-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 5-bromo-1'-phenylspiro[3H-indene-2,3'-pyrrolidine]-1,2'-dione?
The IUPAC name of 5-bromo-1'-phenylspiro[3H-indene-2,3'-pyrrolidine]-1,2'-dione (CID 132511016) is 5-bromo-1'-phenylspiro[3H-indene-2,3'-pyrrolidine]-1,2'-dione.
What is the SMILES notation for 5-bromo-1'-phenylspiro[3H-indene-2,3'-pyrrolidine]-1,2'-dione?
The canonical SMILES for 5-bromo-1'-phenylspiro[3H-indene-2,3'-pyrrolidine]-1,2'-dione is O=C1c2ccc(Br)cc2CC12CCN(c1ccccc1)C2=O.
What is the InChIKey of 5-bromo-1'-phenylspiro[3H-indene-2,3'-pyrrolidine]-1,2'-dione?
The InChIKey is SSAHSQWTSBHHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO2/c19-13-6-7-15-12(10-13)11-18(16(15)21)8-9-20(17(18)22)14-4-2-1-3-5-14/h1-7,10H,8-9,11H2.
What are the key properties of 5-bromo-1'-phenylspiro[3H-indene-2,3'-pyrrolidine]-1,2'-dione?
5-bromo-1'-phenylspiro[3H-indene-2,3'-pyrrolidine]-1,2'-dione has a molecular weight of 356.22 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1'-phenylspiro[3H-indene-2,3'-pyrrolidine]-1,2'-dione is sourced from PubChem (CID 132511016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).