3-(2-bromo-5-methylphenyl)-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one

C17H20BrNO2 — CID 143485126

IUPAC3-(2-bromo-5-methylphenyl)-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one
SMILESCc1ccc(Br)c(C2=C(O)C3(CCC(C)CC3)NC2=O)c1
InChIInChI=1S/C17H20BrNO2/c1-10-5-7-17(8-6-10)15(20)14(16(21)19-17)12-9-11(2)3-4-13(12)18/h3-4,9-10,20H,5-8H2,1-2H3,(H,19,21)
InChIKeyWCWTZDSYCNVWBT-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.11
Rot. Bonds1

About 3-(2-bromo-5-methylphenyl)-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one

3-(2-bromo-5-methylphenyl)-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 143485126) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 3-(2-bromo-5-methylphenyl)-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(2-bromo-5-methylphenyl)-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID143485126
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name3-(2-bromo-5-methylphenyl)-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one
SMILESCc1ccc(Br)c(C2=C(O)C3(CCC(C)CC3)NC2=O)c1
InChIInChI=1S/C17H20BrNO2/c1-10-5-7-17(8-6-10)15(20)14(16(21)19-17)12-9-11(2)3-4-13(12)18/h3-4,9-10,20H,5-8H2,1-2H3,(H,19,21)
InChIKeyWCWTZDSYCNVWBT-UHFFFAOYSA-N
XLogP4.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethylphenyl)-4,8-dihydroxy-1-azaspiro[4.5]dec-3-en-2-one
CID 59076163
3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 169451318
3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 54689456
3-(5-bromo-3-fluoro-2-methylphenyl)-4-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]dec-3-en-2-one
CID 67375615
3-(5-bromo-4-fluoro-2-methylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione
CID 67375580
3-(2,4-dimethylphenyl)-4-hydroxy-6-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 59930873
(5S,7S)-3-(4-bromo-2,6-dimethylphenyl)-4-hydroxy-7-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 54707675
3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 59614606
3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1,10-diazaspiro[4.5]dec-3-en-2-one
CID 154021954
3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8,8-dimethyl-1-azaspiro[4.5]dec-3-en-2-one
CID 67375946
3-(4-bromo-2,6-diethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 58989234
3-(5-bromo-2-methylphenyl)-4-hydroxy-8-methoxy-8-(trifluoromethyl)-1-azaspiro[4.5]dec-3-en-2-one
CID 90413776

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-methylphenyl)-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(2-bromo-5-methylphenyl)-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one (CID 143485126) is 3-(2-bromo-5-methylphenyl)-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(2-bromo-5-methylphenyl)-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(2-bromo-5-methylphenyl)-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one is Cc1ccc(Br)c(C2=C(O)C3(CCC(C)CC3)NC2=O)c1.
What is the InChIKey of 3-(2-bromo-5-methylphenyl)-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is WCWTZDSYCNVWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-10-5-7-17(8-6-10)15(20)14(16(21)19-17)12-9-11(2)3-4-13(12)18/h3-4,9-10,20H,5-8H2,1-2H3,(H,19,21).
What are the key properties of 3-(2-bromo-5-methylphenyl)-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one?
3-(2-bromo-5-methylphenyl)-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 350.26 g/mol, XLogP of 4.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-methylphenyl)-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 143485126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).