(5R)-3-fluoro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one

C10H13FN2O — CID 171808277

IUPAC(5R)-3-fluoro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(C)c(=O)c1F)CN[C@@H]2C
InChIInChI=1S/C10H13FN2O/c1-5-8-6(2)12-4-7(8)13(3)10(14)9(5)11/h6,12H,4H2,1-3H3/t6-/m1/s1
InChIKeyVLQLTCUTBOCJQB-ZCFIWIBFSA-N
MW196.22 g/mol
LogP1.00
Rot. Bonds

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

(5R)-3-fluoro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one (PubChem CID 171808277) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is (5R)-3-fluoro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name(5R)-3-fluoro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
PubChem CID171808277
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name(5R)-3-fluoro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(C)c(=O)c1F)CN[C@@H]2C
InChIInChI=1S/C10H13FN2O/c1-5-8-6(2)12-4-7(8)13(3)10(14)9(5)11/h6,12H,4H2,1-3H3/t6-/m1/s1
InChIKeyVLQLTCUTBOCJQB-ZCFIWIBFSA-N
XLogP1.00
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

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
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
1-[2-(2,2,2-trifluoroethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 104248061
1-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113390996
1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
CID 171808197
1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
CID 171808198
1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
CID 171808210

Frequently Asked Questions

What is the IUPAC name of (5R)-3-fluoro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of (5R)-3-fluoro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one (CID 171808277) is (5R)-3-fluoro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for (5R)-3-fluoro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for (5R)-3-fluoro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one is Cc1c2c(n(C)c(=O)c1F)CN[C@@H]2C.
What is the InChIKey of (5R)-3-fluoro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The InChIKey is VLQLTCUTBOCJQB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-5-8-6(2)12-4-7(8)13(3)10(14)9(5)11/h6,12H,4H2,1-3H3/t6-/m1/s1.
What are the key properties of (5R)-3-fluoro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
(5R)-3-fluoro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one has a molecular weight of 196.22 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-fluoro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 171808277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).