3-ethyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid

C11H17F3N2O3 — CID 175690762

IUPAC3-ethyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
SMILESCCC1CC2(CCNC2)C(=O)N1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16N2O.C2HF3O2/c1-2-7-5-9(8(12)11-7)3-4-10-6-9;3-2(4,5)1(6)7/h7,10H,2-6H2,1H3,(H,11,12);(H,6,7)
InChIKeyZFHVCBDFXCRHKH-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.90
Rot. Bonds1

About 3-ethyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid

3-ethyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 175690762) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-ethyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-ethyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
PubChem CID175690762
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name3-ethyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
SMILESCCC1CC2(CCNC2)C(=O)N1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16N2O.C2HF3O2/c1-2-7-5-9(8(12)11-7)3-4-10-6-9;3-2(4,5)1(6)7/h7,10H,2-6H2,1H3,(H,11,12);(H,6,7)
InChIKeyZFHVCBDFXCRHKH-UHFFFAOYSA-N
XLogP0.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-ethyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid (CID 175690762) is 3-ethyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-ethyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-ethyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid is CCC1CC2(CCNC2)C(=O)N1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-ethyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is ZFHVCBDFXCRHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.C2HF3O2/c1-2-7-5-9(8(12)11-7)3-4-10-6-9;3-2(4,5)1(6)7/h7,10H,2-6H2,1H3,(H,11,12);(H,6,7).
What are the key properties of 3-ethyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid?
3-ethyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 282.26 g/mol, XLogP of 0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175690762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).