3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-(hydroxymethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate

C24H25FNO3- — CID 58283734

IUPAC3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-(hydroxymethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate
SMILESCc1ccc(-c2ccc(F)cc2)c(C)c1C1=C([O-])C2(CCC(CO)CC2)NC1=O
InChIInChI=1S/C24H26FNO3/c1-14-3-8-19(17-4-6-18(25)7-5-17)15(2)20(14)21-22(28)24(26-23(21)29)11-9-16(13-27)10-12-24/h3-8,16,27-28H,9-13H2,1-2H3,(H,26,29)/p-1
InChIKeyUVFHIKBXPQWZMA-UHFFFAOYSA-M
MW394.47 g/mol
LogP3.23
Rot. Bonds3

About 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-(hydroxymethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate

3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-(hydroxymethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate (PubChem CID 58283734) has the molecular formula C24H25FNO3- and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-(hydroxymethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-(hydroxymethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate
PubChem CID58283734
Molecular FormulaC24H25FNO3-
Molecular Weight394.47 g/mol
Exact Mass394.18
IUPAC Name3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-(hydroxymethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate
SMILESCc1ccc(-c2ccc(F)cc2)c(C)c1C1=C([O-])C2(CCC(CO)CC2)NC1=O
InChIInChI=1S/C24H26FNO3/c1-14-3-8-19(17-4-6-18(25)7-5-17)15(2)20(14)21-22(28)24(26-23(21)29)11-9-16(13-27)10-12-24/h3-8,16,27-28H,9-13H2,1-2H3,(H,26,29)/p-1
InChIKeyUVFHIKBXPQWZMA-UHFFFAOYSA-M
XLogP3.23
TPSA72.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-(hydroxymethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate?
The IUPAC name of 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-(hydroxymethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate (CID 58283734) is 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-(hydroxymethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-(hydroxymethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate?
The canonical SMILES for 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-(hydroxymethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate is Cc1ccc(-c2ccc(F)cc2)c(C)c1C1=C([O-])C2(CCC(CO)CC2)NC1=O.
What is the InChIKey of 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-(hydroxymethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate?
The InChIKey is UVFHIKBXPQWZMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H26FNO3/c1-14-3-8-19(17-4-6-18(25)7-5-17)15(2)20(14)21-22(28)24(26-23(21)29)11-9-16(13-27)10-12-24/h3-8,16,27-28H,9-13H2,1-2H3,(H,26,29)/p-1.
What are the key properties of 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-(hydroxymethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate?
3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-(hydroxymethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate has a molecular weight of 394.47 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-(hydroxymethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate is sourced from PubChem (CID 58283734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).