7-(2-hydroxyethoxy)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C9H10N2O3 — CID 15697628

IUPAC7-(2-hydroxyethoxy)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NC(OCCO)c2ncccc21
InChIInChI=1S/C9H10N2O3/c12-4-5-14-9-7-6(8(13)11-9)2-1-3-10-7/h1-3,9,12H,4-5H2,(H,11,13)
InChIKeyRXAUMBJICZKEGG-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.17
Rot. Bonds3

About 7-(2-hydroxyethoxy)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

7-(2-hydroxyethoxy)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 15697628) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 7-(2-hydroxyethoxy)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(2-hydroxyethoxy)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID15697628
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name7-(2-hydroxyethoxy)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NC(OCCO)c2ncccc21
InChIInChI=1S/C9H10N2O3/c12-4-5-14-9-7-6(8(13)11-9)2-1-3-10-7/h1-3,9,12H,4-5H2,(H,11,13)
InChIKeyRXAUMBJICZKEGG-UHFFFAOYSA-N
XLogP-0.17
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethoxy)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(2-hydroxyethoxy)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 15697628) is 7-(2-hydroxyethoxy)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(2-hydroxyethoxy)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(2-hydroxyethoxy)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is O=C1NC(OCCO)c2ncccc21.
What is the InChIKey of 7-(2-hydroxyethoxy)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is RXAUMBJICZKEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-4-5-14-9-7-6(8(13)11-9)2-1-3-10-7/h1-3,9,12H,4-5H2,(H,11,13).
What are the key properties of 7-(2-hydroxyethoxy)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
7-(2-hydroxyethoxy)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 194.19 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethoxy)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 15697628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).