5-[(E)-2-ethoxyethenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C11H12N2O2 — CID 135062439

IUPAC5-[(E)-2-ethoxyethenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCCO/C=C/c1cnc2c(c1)CC(=O)N2
InChIInChI=1S/C11H12N2O2/c1-2-15-4-3-8-5-9-6-10(14)13-11(9)12-7-8/h3-5,7H,2,6H2,1H3,(H,12,13,14)/b4-3+
InChIKeyRGVXAMASKHCILQ-ONEGZZNKSA-N
MW204.23 g/mol
LogP1.58
Rot. Bonds3

About 5-[(E)-2-ethoxyethenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

5-[(E)-2-ethoxyethenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 135062439) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-[(E)-2-ethoxyethenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-[(E)-2-ethoxyethenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID135062439
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-[(E)-2-ethoxyethenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCCO/C=C/c1cnc2c(c1)CC(=O)N2
InChIInChI=1S/C11H12N2O2/c1-2-15-4-3-8-5-9-6-10(14)13-11(9)12-7-8/h3-5,7H,2,6H2,1H3,(H,12,13,14)/b4-3+
InChIKeyRGVXAMASKHCILQ-ONEGZZNKSA-N
XLogP1.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-ethoxyethenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-[(E)-2-ethoxyethenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 135062439) is 5-[(E)-2-ethoxyethenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-[(E)-2-ethoxyethenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-[(E)-2-ethoxyethenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is CCO/C=C/c1cnc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[(E)-2-ethoxyethenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is RGVXAMASKHCILQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-15-4-3-8-5-9-6-10(14)13-11(9)12-7-8/h3-5,7H,2,6H2,1H3,(H,12,13,14)/b4-3+.
What are the key properties of 5-[(E)-2-ethoxyethenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
5-[(E)-2-ethoxyethenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-ethoxyethenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 135062439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).