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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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).