5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione

C17H20FNO2 — CID 79437502

IUPAC5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione
SMILESCC1CCCCC12CC(=O)NC(=O)C2c1ccccc1F
InChIInChI=1S/C17H20FNO2/c1-11-6-4-5-9-17(11)10-14(20)19-16(21)15(17)12-7-2-3-8-13(12)18/h2-3,7-8,11,15H,4-6,9-10H2,1H3,(H,19,20,21)
InChIKeyNUFCGELQEXGSLU-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.15
Rot. Bonds1

About 5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione

5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 79437502) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID79437502
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione
SMILESCC1CCCCC12CC(=O)NC(=O)C2c1ccccc1F
InChIInChI=1S/C17H20FNO2/c1-11-6-4-5-9-17(11)10-14(20)19-16(21)15(17)12-7-2-3-8-13(12)18/h2-3,7-8,11,15H,4-6,9-10H2,1H3,(H,19,20,21)
InChIKeyNUFCGELQEXGSLU-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione (CID 79437502) is 5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione is CC1CCCCC12CC(=O)NC(=O)C2c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is NUFCGELQEXGSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-11-6-4-5-9-17(11)10-14(20)19-16(21)15(17)12-7-2-3-8-13(12)18/h2-3,7-8,11,15H,4-6,9-10H2,1H3,(H,19,20,21).
What are the key properties of 5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione?
5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 289.35 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 79437502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).