3-(3-fluorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one

C15H17FN2O — CID 22428590

IUPAC3-(3-fluorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one
SMILESCC1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2
InChIInChI=1S/C15H17FN2O/c1-10-5-7-15(8-6-10)17-13(14(19)18-15)11-3-2-4-12(16)9-11/h2-4,9-10H,5-8H2,1H3,(H,18,19)
InChIKeyBBYSTKQWMSOSEN-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.65
Rot. Bonds1

About 3-(3-fluorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one

3-(3-fluorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 22428590) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one
PubChem CID22428590
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name3-(3-fluorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one
SMILESCC1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2
InChIInChI=1S/C15H17FN2O/c1-10-5-7-15(8-6-10)17-13(14(19)18-15)11-3-2-4-12(16)9-11/h2-4,9-10H,5-8H2,1H3,(H,18,19)
InChIKeyBBYSTKQWMSOSEN-UHFFFAOYSA-N
XLogP2.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Phenyl-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 3242855
5-(3-fluorophenyl)-2,2-dimethyl-2,3-dihydro-4H-imidazol-4-one
CID 3240492
3-(4-Fluorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one
CID 9550199
3-(4-Fluorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one
CID 9550650
2,2-dimethyl-5-(4-methylphenyl)-2,3-dihydro-4H-imidazol-4-one
CID 9550805
3-(4-Fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 3242267
2,2-dimethyl-5-phenyl-2,3-dihydro-4H-imidazol-4-one
CID 6621552
8-Benzyl-3-(3-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20962122
8-(3-Fluorobenzyl)-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 53029526
8-[(4-Fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-EN-2-one
CID 53029544
3-(4-Methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 22428769
8-Tert-butyl-3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 22428591

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(3-fluorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one (CID 22428590) is 3-(3-fluorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one is CC1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2.
What is the InChIKey of 3-(3-fluorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is BBYSTKQWMSOSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10-5-7-15(8-6-10)17-13(14(19)18-15)11-3-2-4-12(16)9-11/h2-4,9-10H,5-8H2,1H3,(H,18,19).
What are the key properties of 3-(3-fluorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one?
3-(3-fluorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 260.31 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 22428590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).