5-amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

C9H9F3N2O — CID 129078756

IUPAC5-amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESNC1CCc2[nH]c(=O)cc(C(F)(F)F)c21
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)4-3-7(15)14-6-2-1-5(13)8(4)6/h3,5H,1-2,13H2,(H,14,15)
InChIKeyXVHCOSLVFQDJTO-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.34
Rot. Bonds

About 5-amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

5-amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (PubChem CID 129078756) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 5-amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name5-amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
PubChem CID129078756
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name5-amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESNC1CCc2[nH]c(=O)cc(C(F)(F)F)c21
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)4-3-7(15)14-6-2-1-5(13)8(4)6/h3,5H,1-2,13H2,(H,14,15)
InChIKeyXVHCOSLVFQDJTO-UHFFFAOYSA-N
XLogP1.34
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one 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 5-amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The IUPAC name of 5-amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (CID 129078756) is 5-amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for 5-amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for 5-amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is NC1CCc2[nH]c(=O)cc(C(F)(F)F)c21.
What is the InChIKey of 5-amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The InChIKey is XVHCOSLVFQDJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)4-3-7(15)14-6-2-1-5(13)8(4)6/h3,5H,1-2,13H2,(H,14,15).
What are the key properties of 5-amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
5-amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one has a molecular weight of 218.18 g/mol, XLogP of 1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 129078756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).