6-chlorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione

C12H10ClNO2 — CID 59233919

IUPAC6-chlorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
SMILESO=C1CC2(CCc3cc(Cl)ccc32)C(=O)N1
InChIInChI=1S/C12H10ClNO2/c13-8-1-2-9-7(5-8)3-4-12(9)6-10(15)14-11(12)16/h1-2,5H,3-4,6H2,(H,14,15,16)
InChIKeyFLRWSMYXJAPFJA-UHFFFAOYSA-N
MW235.67 g/mol
LogP1.57
Rot. Bonds

About 6-chlorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione

6-chlorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione (PubChem CID 59233919) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 6-chlorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione.

Molecular Properties

Compound Name6-chlorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
PubChem CID59233919
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name6-chlorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
SMILESO=C1CC2(CCc3cc(Cl)ccc32)C(=O)N1
InChIInChI=1S/C12H10ClNO2/c13-8-1-2-9-7(5-8)3-4-12(9)6-10(15)14-11(12)16/h1-2,5H,3-4,6H2,(H,14,15,16)
InChIKeyFLRWSMYXJAPFJA-UHFFFAOYSA-N
XLogP1.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chlorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione?
The IUPAC name of 6-chlorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione (CID 59233919) is 6-chlorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione.
What is the SMILES notation for 6-chlorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione?
The canonical SMILES for 6-chlorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione is O=C1CC2(CCc3cc(Cl)ccc32)C(=O)N1.
What is the InChIKey of 6-chlorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione?
The InChIKey is FLRWSMYXJAPFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c13-8-1-2-9-7(5-8)3-4-12(9)6-10(15)14-11(12)16/h1-2,5H,3-4,6H2,(H,14,15,16).
What are the key properties of 6-chlorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione?
6-chlorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione has a molecular weight of 235.67 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione is sourced from PubChem (CID 59233919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).