3-ethyl-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one

C11H14N2O — CID 134840605

IUPAC3-ethyl-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one
SMILESCCC1(C)C(=O)N(C)c2ncccc21
InChIInChI=1S/C11H14N2O/c1-4-11(2)8-6-5-7-12-9(8)13(3)10(11)14/h5-7H,4H2,1-3H3
InChIKeyFNBDMYRMNYZZNG-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.73
Rot. Bonds1

About 3-ethyl-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one

3-ethyl-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one (PubChem CID 134840605) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-ethyl-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one
PubChem CID134840605
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-ethyl-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one
SMILESCCC1(C)C(=O)N(C)c2ncccc21
InChIInChI=1S/C11H14N2O/c1-4-11(2)8-6-5-7-12-9(8)13(3)10(11)14/h5-7H,4H2,1-3H3
InChIKeyFNBDMYRMNYZZNG-UHFFFAOYSA-N
XLogP1.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3-ethyl-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one (CID 134840605) is 3-ethyl-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-ethyl-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3-ethyl-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one is CCC1(C)C(=O)N(C)c2ncccc21.
What is the InChIKey of 3-ethyl-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one?
The InChIKey is FNBDMYRMNYZZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-11(2)8-6-5-7-12-9(8)13(3)10(11)14/h5-7H,4H2,1-3H3.
What are the key properties of 3-ethyl-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one?
3-ethyl-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 134840605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).