5-cyclopentyl-6-[1-(trifluoromethyl)cyclopropyl]-4,6-diazaspiro[2.4]heptan-7-one

C14H19F3N2O — CID 106216240

IUPAC5-cyclopentyl-6-[1-(trifluoromethyl)cyclopropyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(C2(C(F)(F)F)CC2)C(C2CCCC2)NC12CC2
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)13(7-8-13)19-10(9-3-1-2-4-9)18-12(5-6-12)11(19)20/h9-10,18H,1-8H2
InChIKeyWYOZCMPDVNEBGY-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.56
Rot. Bonds2

About 5-cyclopentyl-6-[1-(trifluoromethyl)cyclopropyl]-4,6-diazaspiro[2.4]heptan-7-one

5-cyclopentyl-6-[1-(trifluoromethyl)cyclopropyl]-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 106216240) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-cyclopentyl-6-[1-(trifluoromethyl)cyclopropyl]-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-cyclopentyl-6-[1-(trifluoromethyl)cyclopropyl]-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID106216240
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name5-cyclopentyl-6-[1-(trifluoromethyl)cyclopropyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(C2(C(F)(F)F)CC2)C(C2CCCC2)NC12CC2
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)13(7-8-13)19-10(9-3-1-2-4-9)18-12(5-6-12)11(19)20/h9-10,18H,1-8H2
InChIKeyWYOZCMPDVNEBGY-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopentyl-6-(3,3-dimethylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 104830783
3-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 106210939
5-cyclopentyl-6-(2,3-dimethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245424
5-cyclopentyl-6-(2-methylpentan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83246084
5-cyclopentyl-6-(3-methyl-2-propan-2-ylbutyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 102916097
5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270056
5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248334
2-cyclopentyl-3-(2-methylcyclopentyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83264147
5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83245762
6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83263190
2-cyclopentyl-3-(thiolan-2-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83270006
2-cyclopentyl-3-(oxolan-3-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83267225

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-6-[1-(trifluoromethyl)cyclopropyl]-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-cyclopentyl-6-[1-(trifluoromethyl)cyclopropyl]-4,6-diazaspiro[2.4]heptan-7-one (CID 106216240) is 5-cyclopentyl-6-[1-(trifluoromethyl)cyclopropyl]-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-cyclopentyl-6-[1-(trifluoromethyl)cyclopropyl]-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-cyclopentyl-6-[1-(trifluoromethyl)cyclopropyl]-4,6-diazaspiro[2.4]heptan-7-one is O=C1N(C2(C(F)(F)F)CC2)C(C2CCCC2)NC12CC2.
What is the InChIKey of 5-cyclopentyl-6-[1-(trifluoromethyl)cyclopropyl]-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is WYOZCMPDVNEBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)13(7-8-13)19-10(9-3-1-2-4-9)18-12(5-6-12)11(19)20/h9-10,18H,1-8H2.
What are the key properties of 5-cyclopentyl-6-[1-(trifluoromethyl)cyclopropyl]-4,6-diazaspiro[2.4]heptan-7-one?
5-cyclopentyl-6-[1-(trifluoromethyl)cyclopropyl]-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 288.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-6-[1-(trifluoromethyl)cyclopropyl]-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 106216240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).