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

C10H14N2O — CID 171808198

IUPAC1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(C)c(=O)c1C)CNC2
InChIInChI=1S/C10H14N2O/c1-6-7(2)10(13)12(3)9-5-11-4-8(6)9/h11H,4-5H2,1-3H3
InChIKeyPRYPMDZDSPRJLR-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.61
Rot. Bonds

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

1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one (PubChem CID 171808198) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
PubChem CID171808198
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(C)c(=O)c1C)CNC2
InChIInChI=1S/C10H14N2O/c1-6-7(2)10(13)12(3)9-5-11-4-8(6)9/h11H,4-5H2,1-3H3
InChIKeyPRYPMDZDSPRJLR-UHFFFAOYSA-N
XLogP0.61
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
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
3-Amino-1-ethyl-4,5,6-trimethylpyridin-2-one
CID 22093028
6,7-Dimethyl-1,2,3,5-tetrahydropyrrolo[3,4-c]pyridin-4-one
CID 82375921
1-(1,2,5,7-Tetrahydropyrrolo[3,4-b]pyridin-6-yl)ethanone
CID 118929024

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of 1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one (CID 171808198) is 1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for 1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for 1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one is Cc1c2c(n(C)c(=O)c1C)CNC2.
What is the InChIKey of 1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The InChIKey is PRYPMDZDSPRJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-6-7(2)10(13)12(3)9-5-11-4-8(6)9/h11H,4-5H2,1-3H3.
What are the key properties of 1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one has a molecular weight of 178.23 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 171808198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).