6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C11H9BrN2O2 — CID 10869704

IUPAC6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCc3cc(Br)ccc32)N1
InChIInChI=1S/C11H9BrN2O2/c12-7-1-2-8-6(5-7)3-4-11(8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
InChIKeyVSAYNERGILLODM-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.43
Rot. Bonds

About 6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 10869704) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID10869704
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCc3cc(Br)ccc32)N1
InChIInChI=1S/C11H9BrN2O2/c12-7-1-2-8-6(5-7)3-4-11(8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
InChIKeyVSAYNERGILLODM-UHFFFAOYSA-N
XLogP1.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 118958026
(3R)-5-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 154872521
6-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 21162203
6-ethynylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 143990894
N-(2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl)acetamide
CID 118956972
6-(2H-tetrazol-5-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 11076488
6-hydroxy-7-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 91607903
6-[2-[(4S)-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 70889889
CID 67236589
CID 67236589
(3R)-6-bromospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 124572209
(1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid
CID 118956982
(4aR,10bR)-8-bromo-10b-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one
CID 11119935

Frequently Asked Questions

What is the IUPAC name of 6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 10869704) is 6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)C2(CCc3cc(Br)ccc32)N1.
What is the InChIKey of 6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is VSAYNERGILLODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c12-7-1-2-8-6(5-7)3-4-11(8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16).
What are the key properties of 6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 281.11 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 10869704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).