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

C10H10F3NO — CID 71737381

IUPAC1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCn1c2c(cc(C(F)(F)F)c1=O)CCC2
InChIInChI=1S/C10H10F3NO/c1-14-8-4-2-3-6(8)5-7(9(14)15)10(11,12)13/h5H,2-4H2,1H3
InChIKeyAOWRAADERJYXOI-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.89
Rot. Bonds

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

1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 71737381) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID71737381
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCn1c2c(cc(C(F)(F)F)c1=O)CCC2
InChIInChI=1S/C10H10F3NO/c1-14-8-4-2-3-6(8)5-7(9(14)15)10(11,12)13/h5H,2-4H2,1H3
InChIKeyAOWRAADERJYXOI-UHFFFAOYSA-N
XLogP1.89
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 59284174
6-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one
CID 59284256
1,3-Dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 59284268
3-methyl-2-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
CID 59284297
1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one
CID 122633271
1,1-Difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one
CID 122633273
1,1-Difluoro-6-methyl-2,3-dihydroindolizin-5-one
CID 122633859
1,1-Difluoro-6-methyl-8-propan-2-yl-2,3-dihydroindolizin-5-one
CID 126608812
8-Ethyl-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one
CID 126611910
1-Methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-2(1H)-one
CID 132966354
1,1-Difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one;ethane
CID 145172236
3-iodo-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 146566764

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 71737381) is 1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is Cn1c2c(cc(C(F)(F)F)c1=O)CCC2.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is AOWRAADERJYXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-14-8-4-2-3-6(8)5-7(9(14)15)10(11,12)13/h5H,2-4H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 217.19 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 71737381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).