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

C16H19FN2O — CID 83248620

IUPAC6-(2,2-dimethylcyclopropyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1(C)CC1N1C(=O)C2(CC2)NC1c1cccc(F)c1
InChIInChI=1S/C16H19FN2O/c1-15(2)9-12(15)19-13(10-4-3-5-11(17)8-10)18-16(6-7-16)14(19)20/h3-5,8,12-13,18H,6-7,9H2,1-2H3
InChIKeyWHSQQGPHOBNAAZ-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.59
Rot. Bonds2

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

6-(2,2-dimethylcyclopropyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83248620) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 6-(2,2-dimethylcyclopropyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2,2-dimethylcyclopropyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83248620
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name6-(2,2-dimethylcyclopropyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1(C)CC1N1C(=O)C2(CC2)NC1c1cccc(F)c1
InChIInChI=1S/C16H19FN2O/c1-15(2)9-12(15)19-13(10-4-3-5-11(17)8-10)18-16(6-7-16)14(19)20/h3-5,8,12-13,18H,6-7,9H2,1-2H3
InChIKeyWHSQQGPHOBNAAZ-UHFFFAOYSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,4-difluorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248621
5-(4-chlorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248152
5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83242741
5-(3-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83250897
5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83239801
6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237493
3-cyclobutyl-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83254488
3-(2,2-dimethylcyclopentyl)-2-(3-fluorophenyl)imidazolidin-4-one
CID 83270186
3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83242288
5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83264030
3-(1-cyclopropylethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83244740
3-cyclobutyl-2-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83249263

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylcyclopropyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2,2-dimethylcyclopropyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83248620) is 6-(2,2-dimethylcyclopropyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2,2-dimethylcyclopropyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2,2-dimethylcyclopropyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one is CC1(C)CC1N1C(=O)C2(CC2)NC1c1cccc(F)c1.
What is the InChIKey of 6-(2,2-dimethylcyclopropyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is WHSQQGPHOBNAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-15(2)9-12(15)19-13(10-4-3-5-11(17)8-10)18-16(6-7-16)14(19)20/h3-5,8,12-13,18H,6-7,9H2,1-2H3.
What are the key properties of 6-(2,2-dimethylcyclopropyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(2,2-dimethylcyclopropyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 274.34 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylcyclopropyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83248620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).