8-amino-2-azaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid

C11H17F3N2O3 — CID 146050112

IUPAC8-amino-2-azaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
SMILESNC1CCC2(CCNC2=O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16N2O.C2HF3O2/c10-7-1-3-9(4-2-7)5-6-11-8(9)12;3-2(4,5)1(6)7/h7H,1-6,10H2,(H,11,12);(H,6,7)
InChIKeyZHRSUKZBPHEKGR-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.03
Rot. Bonds

About 8-amino-2-azaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid

8-amino-2-azaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 146050112) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 8-amino-2-azaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-amino-2-azaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
PubChem CID146050112
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name8-amino-2-azaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
SMILESNC1CCC2(CCNC2=O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16N2O.C2HF3O2/c10-7-1-3-9(4-2-7)5-6-11-8(9)12;3-2(4,5)1(6)7/h7H,1-6,10H2,(H,11,12);(H,6,7)
InChIKeyZHRSUKZBPHEKGR-UHFFFAOYSA-N
XLogP1.03
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 8-amino-2-azaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-azaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-amino-2-azaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid (CID 146050112) is 8-amino-2-azaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-amino-2-azaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-amino-2-azaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid is NC1CCC2(CCNC2=O)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 8-amino-2-azaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is ZHRSUKZBPHEKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.C2HF3O2/c10-7-1-3-9(4-2-7)5-6-11-8(9)12;3-2(4,5)1(6)7/h7H,1-6,10H2,(H,11,12);(H,6,7).
What are the key properties of 8-amino-2-azaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid?
8-amino-2-azaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 282.26 g/mol, XLogP of 1.03, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-azaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146050112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).