3-ethyl-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C12H14F3NO — CID 146614315

IUPAC3-ethyl-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCc1c(C(F)(F)F)c2c(n(C)c1=O)CCC2
InChIInChI=1S/C12H14F3NO/c1-3-7-10(12(13,14)15)8-5-4-6-9(8)16(2)11(7)17/h3-6H2,1-2H3
InChIKeyFUEFJJPAEHIARC-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.46
Rot. Bonds1

About 3-ethyl-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

3-ethyl-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 146614315) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-ethyl-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID146614315
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name3-ethyl-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCc1c(C(F)(F)F)c2c(n(C)c1=O)CCC2
InChIInChI=1S/C12H14F3NO/c1-3-7-10(12(13,14)15)8-5-4-6-9(8)16(2)11(7)17/h3-6H2,1-2H3
InChIKeyFUEFJJPAEHIARC-UHFFFAOYSA-N
XLogP2.46
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[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 3-ethyl-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 3-ethyl-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 146614315) is 3-ethyl-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-ethyl-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-ethyl-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CCc1c(C(F)(F)F)c2c(n(C)c1=O)CCC2.
What is the InChIKey of 3-ethyl-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is FUEFJJPAEHIARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-3-7-10(12(13,14)15)8-5-4-6-9(8)16(2)11(7)17/h3-6H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
3-ethyl-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 245.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 146614315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).