9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione

C10H14BrN3O3 — CID 107905582

IUPAC9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESCC(Br)C(=O)N1CCCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C10H14BrN3O3/c1-6(11)7(15)14-4-2-3-10(5-14)8(16)12-9(17)13-10/h6H,2-5H2,1H3,(H2,12,13,16,17)
InChIKeyLBOIWPGPIYRBKC-UHFFFAOYSA-N
MW304.14 g/mol
LogP-0.03
Rot. Bonds1

About 9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione

9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione (PubChem CID 107905582) has the molecular formula C10H14BrN3O3 and a molecular weight of 304.14 g/mol. Its IUPAC name is 9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
PubChem CID107905582
Molecular FormulaC10H14BrN3O3
Molecular Weight304.14 g/mol
Exact Mass303.02
IUPAC Name9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESCC(Br)C(=O)N1CCCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C10H14BrN3O3/c1-6(11)7(15)14-4-2-3-10(5-14)8(16)12-9(17)13-10/h6H,2-5H2,1H3,(H2,12,13,16,17)
InChIKeyLBOIWPGPIYRBKC-UHFFFAOYSA-N
XLogP-0.03
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-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 9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione (CID 107905582) is 9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione is CC(Br)C(=O)N1CCCC2(C1)NC(=O)NC2=O.
What is the InChIKey of 9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LBOIWPGPIYRBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O3/c1-6(11)7(15)14-4-2-3-10(5-14)8(16)12-9(17)13-10/h6H,2-5H2,1H3,(H2,12,13,16,17).
What are the key properties of 9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione?
9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 304.14 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 107905582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).