2-methyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one

C8H8N2O — CID 89034416

IUPAC2-methyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
SMILESCc1cc2ccc(=O)[nH]c2[nH]1
InChIInChI=1S/C8H8N2O/c1-5-4-6-2-3-7(11)10-8(6)9-5/h2-4H,1H3,(H2,9,10,11)
InChIKeyUDPSBIYXWSRUAB-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.16
Rot. Bonds

About 2-methyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one

2-methyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one (PubChem CID 89034416) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-methyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-methyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
PubChem CID89034416
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-methyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
SMILESCc1cc2ccc(=O)[nH]c2[nH]1
InChIInChI=1S/C8H8N2O/c1-5-4-6-2-3-7(11)10-8(6)9-5/h2-4H,1H3,(H2,9,10,11)
InChIKeyUDPSBIYXWSRUAB-UHFFFAOYSA-N
XLogP1.16
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-methyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The IUPAC name of 2-methyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one (CID 89034416) is 2-methyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one.
What is the SMILES notation for 2-methyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The canonical SMILES for 2-methyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one is Cc1cc2ccc(=O)[nH]c2[nH]1.
What is the InChIKey of 2-methyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The InChIKey is UDPSBIYXWSRUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-5-4-6-2-3-7(11)10-8(6)9-5/h2-4H,1H3,(H2,9,10,11).
What are the key properties of 2-methyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
2-methyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one has a molecular weight of 148.16 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one is sourced from PubChem (CID 89034416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).