5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one

C15H19FN2O — CID 83242741

IUPAC5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CN1C(=O)C2(CC2)NC1c1cccc(F)c1
InChIInChI=1S/C15H19FN2O/c1-10(2)9-18-13(11-4-3-5-12(16)8-11)17-15(6-7-15)14(18)19/h3-5,8,10,13,17H,6-7,9H2,1-2H3
InChIKeyXLABSHSQIVVNFA-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.44
Rot. Bonds3

About 5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one

5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83242741) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83242741
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CN1C(=O)C2(CC2)NC1c1cccc(F)c1
InChIInChI=1S/C15H19FN2O/c1-10(2)9-18-13(11-4-3-5-12(16)8-11)17-15(6-7-15)14(18)19/h3-5,8,10,13,17H,6-7,9H2,1-2H3
InChIKeyXLABSHSQIVVNFA-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-3-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 79491776
6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245377
5-(3-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83250897
6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237493
5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83239801
6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245173
6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83271058
6-(2-methyl-3-methylsulfanylpropyl)-5-(3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263704
6-(2,2-dimethylcyclopropyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248620
5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242438
6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83239062
5-(3,4-difluorophenyl)-6-pentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83246226

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83242741) is 5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is CC(C)CN1C(=O)C2(CC2)NC1c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is XLABSHSQIVVNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-10(2)9-18-13(11-4-3-5-12(16)8-11)17-15(6-7-15)14(18)19/h3-5,8,10,13,17H,6-7,9H2,1-2H3.
What are the key properties of 5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 262.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83242741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).