3-[2-(1-bromopropyl)phenyl]-1-azaspiro[4.5]decane-2,4-dione

C18H22BrNO2 — CID 140503058

IUPAC3-[2-(1-bromopropyl)phenyl]-1-azaspiro[4.5]decane-2,4-dione
SMILESCCC(Br)c1ccccc1C1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H22BrNO2/c1-2-14(19)12-8-4-5-9-13(12)15-16(21)18(20-17(15)22)10-6-3-7-11-18/h4-5,8-9,14-15H,2-3,6-7,10-11H2,1H3,(H,20,22)
InChIKeyAEXMKHMBMJTJEW-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.02
Rot. Bonds3

About 3-[2-(1-bromopropyl)phenyl]-1-azaspiro[4.5]decane-2,4-dione

3-[2-(1-bromopropyl)phenyl]-1-azaspiro[4.5]decane-2,4-dione (PubChem CID 140503058) has the molecular formula C18H22BrNO2 and a molecular weight of 364.28 g/mol. Its IUPAC name is 3-[2-(1-bromopropyl)phenyl]-1-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(1-bromopropyl)phenyl]-1-azaspiro[4.5]decane-2,4-dione
PubChem CID140503058
Molecular FormulaC18H22BrNO2
Molecular Weight364.28 g/mol
Exact Mass363.08
IUPAC Name3-[2-(1-bromopropyl)phenyl]-1-azaspiro[4.5]decane-2,4-dione
SMILESCCC(Br)c1ccccc1C1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H22BrNO2/c1-2-14(19)12-8-4-5-9-13(12)15-16(21)18(20-17(15)22)10-6-3-7-11-18/h4-5,8-9,14-15H,2-3,6-7,10-11H2,1H3,(H,20,22)
InChIKeyAEXMKHMBMJTJEW-UHFFFAOYSA-N
XLogP4.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione
CID 90735471
2,4-dioxo-N-(2-propan-2-ylphenyl)-1-azaspiro[4.5]decane-3-carboxamide
CID 91470052
3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione
CID 22327495
3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83225076
3-ethyl-4-phenyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64958744
3-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-azaspiro[4.5]decane-2,4-dione
CID 90766086
3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83246182
3-(2-bromo-5-methylphenyl)-8-(hydroxymethyl)-1-azaspiro[4.5]decane-2,4-dione
CID 91082578
3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64883688
9-butan-2-yl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957601
3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239839
3-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-1-azaspiro[4.4]nonane-2,4-dione
CID 66660197

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-bromopropyl)phenyl]-1-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(1-bromopropyl)phenyl]-1-azaspiro[4.5]decane-2,4-dione (CID 140503058) is 3-[2-(1-bromopropyl)phenyl]-1-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(1-bromopropyl)phenyl]-1-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(1-bromopropyl)phenyl]-1-azaspiro[4.5]decane-2,4-dione is CCC(Br)c1ccccc1C1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 3-[2-(1-bromopropyl)phenyl]-1-azaspiro[4.5]decane-2,4-dione?
The InChIKey is AEXMKHMBMJTJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO2/c1-2-14(19)12-8-4-5-9-13(12)15-16(21)18(20-17(15)22)10-6-3-7-11-18/h4-5,8-9,14-15H,2-3,6-7,10-11H2,1H3,(H,20,22).
What are the key properties of 3-[2-(1-bromopropyl)phenyl]-1-azaspiro[4.5]decane-2,4-dione?
3-[2-(1-bromopropyl)phenyl]-1-azaspiro[4.5]decane-2,4-dione has a molecular weight of 364.28 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-bromopropyl)phenyl]-1-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 140503058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).