(1R,3S)-1-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C11H9BrN2O2 — CID 129362407

IUPAC(1R,3S)-1-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)[C@@]2(C[C@@H](Br)c3ccccc32)N1
InChIInChI=1S/C11H9BrN2O2/c12-8-5-11(9(15)13-10(16)14-11)7-4-2-1-3-6(7)8/h1-4,8H,5H2,(H2,13,14,15,16)/t8-,11+/m1/s1
InChIKeyDIJAVRLNHQUMAB-KCJUWKMLSA-N
MW281.11 g/mol
LogP1.56
Rot. Bonds

About (1R,3S)-1-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

(1R,3S)-1-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 129362407) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is (1R,3S)-1-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(1R,3S)-1-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID129362407
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name(1R,3S)-1-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)[C@@]2(C[C@@H](Br)c3ccccc32)N1
InChIInChI=1S/C11H9BrN2O2/c12-8-5-11(9(15)13-10(16)14-11)7-4-2-1-3-6(7)8/h1-4,8H,5H2,(H2,13,14,15,16)/t8-,11+/m1/s1
InChIKeyDIJAVRLNHQUMAB-KCJUWKMLSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-1-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (1R,3S)-1-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 129362407) is (1R,3S)-1-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (1R,3S)-1-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (1R,3S)-1-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)[C@@]2(C[C@@H](Br)c3ccccc32)N1.
What is the InChIKey of (1R,3S)-1-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is DIJAVRLNHQUMAB-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c12-8-5-11(9(15)13-10(16)14-11)7-4-2-1-3-6(7)8/h1-4,8H,5H2,(H2,13,14,15,16)/t8-,11+/m1/s1.
What are the key properties of (1R,3S)-1-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
(1R,3S)-1-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 281.11 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-1-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 129362407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).