3-ethyl-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one

C10H12N2O — CID 10654865

IUPAC3-ethyl-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESCCC1C(=O)N(C)c2ncccc21
InChIInChI=1S/C10H12N2O/c1-3-7-8-5-4-6-11-9(8)12(2)10(7)13/h4-7H,3H2,1-2H3
InChIKeyHYUAEPOSOXHPKK-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.55
Rot. Bonds1

About 3-ethyl-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one

3-ethyl-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 10654865) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-ethyl-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID10654865
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-ethyl-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESCCC1C(=O)N(C)c2ncccc21
InChIInChI=1S/C10H12N2O/c1-3-7-8-5-4-6-11-9(8)12(2)10(7)13/h4-7H,3H2,1-2H3
InChIKeyHYUAEPOSOXHPKK-UHFFFAOYSA-N
XLogP1.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3-ethyl-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one (CID 10654865) is 3-ethyl-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-ethyl-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3-ethyl-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one is CCC1C(=O)N(C)c2ncccc21.
What is the InChIKey of 3-ethyl-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is HYUAEPOSOXHPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-7-8-5-4-6-11-9(8)12(2)10(7)13/h4-7H,3H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one?
3-ethyl-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 10654865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).