3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate

C23H23FNO3- — CID 58283736

IUPAC3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate
SMILESCOC1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(F)cc3)ccc1C)=C2[O-]
InChIInChI=1S/C23H24FNO3/c1-14-3-4-16(15-5-7-17(24)8-6-15)13-19(14)20-21(26)23(25-22(20)27)11-9-18(28-2)10-12-23/h3-8,13,18,26H,9-12H2,1-2H3,(H,25,27)/p-1
InChIKeyHXVZNPSNXYSQAT-UHFFFAOYSA-M
MW380.44 g/mol
LogP3.33
Rot. Bonds3

About 3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate

3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate (PubChem CID 58283736) has the molecular formula C23H23FNO3- and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate
PubChem CID58283736
Molecular FormulaC23H23FNO3-
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate
SMILESCOC1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(F)cc3)ccc1C)=C2[O-]
InChIInChI=1S/C23H24FNO3/c1-14-3-4-16(15-5-7-17(24)8-6-15)13-19(14)20-21(26)23(25-22(20)27)11-9-18(28-2)10-12-23/h3-8,13,18,26H,9-12H2,1-2H3,(H,25,27)/p-1
InChIKeyHXVZNPSNXYSQAT-UHFFFAOYSA-M
XLogP3.33
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate?
The IUPAC name of 3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate (CID 58283736) is 3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate?
The canonical SMILES for 3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate is COC1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(F)cc3)ccc1C)=C2[O-].
What is the InChIKey of 3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate?
The InChIKey is HXVZNPSNXYSQAT-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H24FNO3/c1-14-3-4-16(15-5-7-17(24)8-6-15)13-19(14)20-21(26)23(25-22(20)27)11-9-18(28-2)10-12-23/h3-8,13,18,26H,9-12H2,1-2H3,(H,25,27)/p-1.
What are the key properties of 3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate?
3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate has a molecular weight of 380.44 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate is sourced from PubChem (CID 58283736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).