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

C10H11F3N2O — CID 171808298

IUPAC1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(C)c(=O)c1C(F)(F)F)CNC2
InChIInChI=1S/C10H11F3N2O/c1-5-6-3-14-4-7(6)15(2)9(16)8(5)10(11,12)13/h14H,3-4H2,1-2H3
InChIKeyJSAOSHWBQOYWIK-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.32
Rot. Bonds

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

1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one (PubChem CID 171808298) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
PubChem CID171808298
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(C)c(=O)c1C(F)(F)F)CNC2
InChIInChI=1S/C10H11F3N2O/c1-5-6-3-14-4-7(6)15(2)9(16)8(5)10(11,12)13/h14H,3-4H2,1-2H3
InChIKeyJSAOSHWBQOYWIK-UHFFFAOYSA-N
XLogP1.32
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
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

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Related Compounds

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
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
3-chloro-4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
CID 171808479
1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
CID 171808547
4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
CID 171808574
4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
CID 171808575
1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
CID 171808648
2,2,2-trifluoroacetic acid;5,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-one
CID 175800753
1-(2-Aminoethyl)-6-ethyl-4-(trifluoromethyl)pyridin-2-one
CID 132488942

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one (CID 171808298) is 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one is Cc1c2c(n(C)c(=O)c1C(F)(F)F)CNC2.
What is the InChIKey of 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The InChIKey is JSAOSHWBQOYWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-5-6-3-14-4-7(6)15(2)9(16)8(5)10(11,12)13/h14H,3-4H2,1-2H3.
What are the key properties of 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one has a molecular weight of 232.20 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 171808298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).