3-methyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one

C8H8N2O — CID 90168215

IUPAC3-methyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one
SMILESCC1C=Nc2ccc(=O)[nH]c21
InChIInChI=1S/C8H8N2O/c1-5-4-9-6-2-3-7(11)10-8(5)6/h2-5H,1H3,(H,10,11)
InChIKeyCLZHNRKRWSHIMI-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.19
Rot. Bonds

About 3-methyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one

3-methyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one (PubChem CID 90168215) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 3-methyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name3-methyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one
PubChem CID90168215
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name3-methyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one
SMILESCC1C=Nc2ccc(=O)[nH]c21
InChIInChI=1S/C8H8N2O/c1-5-4-9-6-2-3-7(11)10-8(5)6/h2-5H,1H3,(H,10,11)
InChIKeyCLZHNRKRWSHIMI-UHFFFAOYSA-N
XLogP1.19
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one?
The IUPAC name of 3-methyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one (CID 90168215) is 3-methyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one.
What is the SMILES notation for 3-methyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one?
The canonical SMILES for 3-methyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one is CC1C=Nc2ccc(=O)[nH]c21.
What is the InChIKey of 3-methyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one?
The InChIKey is CLZHNRKRWSHIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-5-4-9-6-2-3-7(11)10-8(5)6/h2-5H,1H3,(H,10,11).
What are the key properties of 3-methyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one?
3-methyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one has a molecular weight of 148.16 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one is sourced from PubChem (CID 90168215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).