(5S,8R)-8-(4-bromophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

C13H13BrN2O2 — CID 71083946

IUPAC(5S,8R)-8-(4-bromophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)[C@@]2(CC[C@@H](c3ccc(Br)cc3)C2)N1
InChIInChI=1S/C13H13BrN2O2/c14-10-3-1-8(2-4-10)9-5-6-13(7-9)11(17)15-12(18)16-13/h1-4,9H,5-7H2,(H2,15,16,17,18)/t9-,13+/m1/s1
InChIKeyLNBAOWJYCPKZOS-RNCFNFMXSA-N
MW309.16 g/mol
LogP2.29
Rot. Bonds1

About (5S,8R)-8-(4-bromophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

(5S,8R)-8-(4-bromophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 71083946) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is (5S,8R)-8-(4-bromophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5S,8R)-8-(4-bromophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID71083946
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name(5S,8R)-8-(4-bromophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)[C@@]2(CC[C@@H](c3ccc(Br)cc3)C2)N1
InChIInChI=1S/C13H13BrN2O2/c14-10-3-1-8(2-4-10)9-5-6-13(7-9)11(17)15-12(18)16-13/h1-4,9H,5-7H2,(H2,15,16,17,18)/t9-,13+/m1/s1
InChIKeyLNBAOWJYCPKZOS-RNCFNFMXSA-N
XLogP2.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S,8R)-8-(4-bromophenyl)-1,3-diazaspiro[4.4]nonane-2,4-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 (5S,8R)-8-(4-bromophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5S,8R)-8-(4-bromophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 71083946) is (5S,8R)-8-(4-bromophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5S,8R)-8-(4-bromophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5S,8R)-8-(4-bromophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC(=O)[C@@]2(CC[C@@H](c3ccc(Br)cc3)C2)N1.
What is the InChIKey of (5S,8R)-8-(4-bromophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is LNBAOWJYCPKZOS-RNCFNFMXSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-10-3-1-8(2-4-10)9-5-6-13(7-9)11(17)15-12(18)16-13/h1-4,9H,5-7H2,(H2,15,16,17,18)/t9-,13+/m1/s1.
What are the key properties of (5S,8R)-8-(4-bromophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5S,8R)-8-(4-bromophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 309.16 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R)-8-(4-bromophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 71083946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).