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

C13H16F3NO — CID 146615380

IUPAC1-methyl-3-propan-2-yl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCC(C)c1c(C(F)(F)F)c2c(n(C)c1=O)CCC2
InChIInChI=1S/C13H16F3NO/c1-7(2)10-11(13(14,15)16)8-5-4-6-9(8)17(3)12(10)18/h7H,4-6H2,1-3H3
InChIKeyBVYRPLMCCFQNGJ-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.02
Rot. Bonds1

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

1-methyl-3-propan-2-yl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 146615380) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID146615380
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name1-methyl-3-propan-2-yl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCC(C)c1c(C(F)(F)F)c2c(n(C)c1=O)CCC2
InChIInChI=1S/C13H16F3NO/c1-7(2)10-11(13(14,15)16)8-5-4-6-9(8)17(3)12(10)18/h7H,4-6H2,1-3H3
InChIKeyBVYRPLMCCFQNGJ-UHFFFAOYSA-N
XLogP3.02
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.02
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
1,3-Dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 59284268
1-Methyl-3-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2(5H)-one
CID 71737381
4-(1,1-Difluoroethyl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one
CID 145615182
3-iodo-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 146566764
1-Methyl-4-(trifluoromethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one
CID 146566983
3-ethyl-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 146614315
1,4,6-Trimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 153496485
1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one;ethane
CID 153576873
4-(difluoromethyl)-1-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 164772434
5-[2-(Dimethylamino)ethyl]-1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one
CID 170588286
1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 175138644

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-methyl-3-propan-2-yl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 146615380) is 1-methyl-3-propan-2-yl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-propan-2-yl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-methyl-3-propan-2-yl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CC(C)c1c(C(F)(F)F)c2c(n(C)c1=O)CCC2.
What is the InChIKey of 1-methyl-3-propan-2-yl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is BVYRPLMCCFQNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-7(2)10-11(13(14,15)16)8-5-4-6-9(8)17(3)12(10)18/h7H,4-6H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
1-methyl-3-propan-2-yl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 259.27 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 146615380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).