6-methoxy-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one

C14H12N2O2 — CID 66922119

IUPAC6-methoxy-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESCOc1ccc2c(n1)N(c1ccccc1)C(=O)C2
InChIInChI=1S/C14H12N2O2/c1-18-12-8-7-10-9-13(17)16(14(10)15-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyZLGXAACDWNTJOZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.31
Rot. Bonds2

About 6-methoxy-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one

6-methoxy-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 66922119) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-methoxy-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name6-methoxy-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID66922119
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name6-methoxy-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESCOc1ccc2c(n1)N(c1ccccc1)C(=O)C2
InChIInChI=1S/C14H12N2O2/c1-18-12-8-7-10-9-13(17)16(14(10)15-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyZLGXAACDWNTJOZ-UHFFFAOYSA-N
XLogP2.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 6-methoxy-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one (CID 66922119) is 6-methoxy-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 6-methoxy-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 6-methoxy-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one is COc1ccc2c(n1)N(c1ccccc1)C(=O)C2.
What is the InChIKey of 6-methoxy-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is ZLGXAACDWNTJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-18-12-8-7-10-9-13(17)16(14(10)15-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 6-methoxy-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one?
6-methoxy-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 240.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 66922119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).