3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione

C17H20BrNO2 — CID 90735471

IUPAC3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(Br)c(C)c1C1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C17H20BrNO2/c1-10-6-7-12(18)11(2)13(10)14-15(20)17(19-16(14)21)8-4-3-5-9-17/h6-7,14H,3-5,8-9H2,1-2H3,(H,19,21)
InChIKeyZMPNIYAICLEOTQ-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.55
Rot. Bonds1

About 3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione

3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione (PubChem CID 90735471) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione
PubChem CID90735471
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(Br)c(C)c1C1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C17H20BrNO2/c1-10-6-7-12(18)11(2)13(10)14-15(20)17(19-16(14)21)8-4-3-5-9-17/h6-7,14H,3-5,8-9H2,1-2H3,(H,19,21)
InChIKeyZMPNIYAICLEOTQ-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[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

Related Compounds

3-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-1-azaspiro[4.4]nonane-2,4-dione
CID 66660197
3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione
CID 91213569
3-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-azaspiro[4.5]decane-2,4-dione
CID 90766086
3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 58031200
3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 123199500
3-(5-bromo-2,4-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 70891070
3-(2-bromo-5-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
CID 77256763
3-[2-(1-bromopropyl)phenyl]-1-azaspiro[4.5]decane-2,4-dione
CID 140503058
3-(2-bromo-5-methylphenyl)-8-(hydroxymethyl)-1-azaspiro[4.5]decane-2,4-dione
CID 91082578
3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione
CID 22327495
3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91212908
8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione
CID 141228401

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione (CID 90735471) is 3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione is Cc1ccc(Br)c(C)c1C1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione?
The InChIKey is ZMPNIYAICLEOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-10-6-7-12(18)11(2)13(10)14-15(20)17(19-16(14)21)8-4-3-5-9-17/h6-7,14H,3-5,8-9H2,1-2H3,(H,19,21).
What are the key properties of 3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione?
3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione has a molecular weight of 350.26 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 90735471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).