4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one

C10H11F3N2O — CID 171808575

IUPAC4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
SMILESCc1cc(=O)n(CC(F)(F)F)c2c1CNC2
InChIInChI=1S/C10H11F3N2O/c1-6-2-9(16)15(5-10(11,12)13)8-4-14-3-7(6)8/h2,14H,3-5H2,1H3
InChIKeyUYUPURSRBVRXME-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.32
Rot. Bonds1

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

4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one (PubChem CID 171808575) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
PubChem CID171808575
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
SMILESCc1cc(=O)n(CC(F)(F)F)c2c1CNC2
InChIInChI=1S/C10H11F3N2O/c1-6-2-9(16)15(5-10(11,12)13)8-4-14-3-7(6)8/h2,14H,3-5H2,1H3
InChIKeyUYUPURSRBVRXME-UHFFFAOYSA-N
XLogP1.32
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one with MolForge

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Related Compounds

9-Methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one
CID 71180337
3-Amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one
CID 84008555
(E)-N-[2-[[(3E,5Z)-2,3-dimethylhepta-1,3,5-trien-4-yl]amino]ethyl]-4,4,4-trifluorobut-2-enamide
CID 89722378
3-(Aminomethyl)-1,6-dimethyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 90143574
6-(2,2,2-trifluoroacetyl)-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one
CID 153553317
6-(2-fluoroacetyl)-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one
CID 153553354
6-(2,2-difluoroacetyl)-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one
CID 153553363
(5R)-3-fluoro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
CID 171808277
3-chloro-4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
CID 171808296
1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
CID 171808298
3-fluoro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
CID 171808299
1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
CID 171808320

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one (CID 171808575) is 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one is Cc1cc(=O)n(CC(F)(F)F)c2c1CNC2.
What is the InChIKey of 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The InChIKey is UYUPURSRBVRXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-6-2-9(16)15(5-10(11,12)13)8-4-14-3-7(6)8/h2,14H,3-5H2,1H3.
What are the key properties of 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one has a molecular weight of 232.20 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 171808575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).