3,4-dimethylpyrrolo[2,3-b]pyridin-2-one

C9H8N2O — CID 19800206

IUPAC3,4-dimethylpyrrolo[2,3-b]pyridin-2-one
SMILESCC1=c2c(C)ccnc2=NC1=O
InChIInChI=1S/C9H8N2O/c1-5-3-4-10-8-7(5)6(2)9(12)11-8/h3-4H,1-2H3
InChIKeyBELLALWTRYHPSE-UHFFFAOYSA-N
MW160.18 g/mol
LogP-0.28
Rot. Bonds

About 3,4-dimethylpyrrolo[2,3-b]pyridin-2-one

3,4-dimethylpyrrolo[2,3-b]pyridin-2-one (PubChem CID 19800206) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 3,4-dimethylpyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3,4-dimethylpyrrolo[2,3-b]pyridin-2-one
PubChem CID19800206
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name3,4-dimethylpyrrolo[2,3-b]pyridin-2-one
SMILESCC1=c2c(C)ccnc2=NC1=O
InChIInChI=1S/C9H8N2O/c1-5-3-4-10-8-7(5)6(2)9(12)11-8/h3-4H,1-2H3
InChIKeyBELLALWTRYHPSE-UHFFFAOYSA-N
XLogP-0.28
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3,4-dimethylpyrrolo[2,3-b]pyridin-2-one (CID 19800206) is 3,4-dimethylpyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3,4-dimethylpyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3,4-dimethylpyrrolo[2,3-b]pyridin-2-one is CC1=c2c(C)ccnc2=NC1=O.
What is the InChIKey of 3,4-dimethylpyrrolo[2,3-b]pyridin-2-one?
The InChIKey is BELLALWTRYHPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-5-3-4-10-8-7(5)6(2)9(12)11-8/h3-4H,1-2H3.
What are the key properties of 3,4-dimethylpyrrolo[2,3-b]pyridin-2-one?
3,4-dimethylpyrrolo[2,3-b]pyridin-2-one has a molecular weight of 160.18 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 19800206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).