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

C15H14N2O2 — CID 66922272

IUPAC6-ethoxy-1-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCCOc1cnc2c(c1)N(c1ccccc1)C(=O)C2
InChIInChI=1S/C15H14N2O2/c1-2-19-12-8-14-13(16-10-12)9-15(18)17(14)11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3
InChIKeyLYZXLCRSRBAEJR-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.70
Rot. Bonds3

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

6-ethoxy-1-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 66922272) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-ethoxy-1-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name6-ethoxy-1-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID66922272
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name6-ethoxy-1-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCCOc1cnc2c(c1)N(c1ccccc1)C(=O)C2
InChIInChI=1S/C15H14N2O2/c1-2-19-12-8-14-13(16-10-12)9-15(18)17(14)11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3
InChIKeyLYZXLCRSRBAEJR-UHFFFAOYSA-N
XLogP2.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 6-ethoxy-1-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one (CID 66922272) is 6-ethoxy-1-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 6-ethoxy-1-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 6-ethoxy-1-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one is CCOc1cnc2c(c1)N(c1ccccc1)C(=O)C2.
What is the InChIKey of 6-ethoxy-1-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is LYZXLCRSRBAEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-2-19-12-8-14-13(16-10-12)9-15(18)17(14)11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3.
What are the key properties of 6-ethoxy-1-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one?
6-ethoxy-1-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 254.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 66922272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).