6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione

C10H10N2O3 — CID 61206961

IUPAC6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1CCCO
InChIInChI=1S/C10H10N2O3/c13-6-2-5-12-9(14)7-3-1-4-11-8(7)10(12)15/h1,3-4,13H,2,5-6H2
InChIKeyVACDQJICJIEDMS-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.06
Rot. Bonds3

About 6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 61206961) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID61206961
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1CCCO
InChIInChI=1S/C10H10N2O3/c13-6-2-5-12-9(14)7-3-1-4-11-8(7)10(12)15/h1,3-4,13H,2,5-6H2
InChIKeyVACDQJICJIEDMS-UHFFFAOYSA-N
XLogP0.06
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 2133484
6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 62498637
6-pent-4-ynylpyrrolo[3,4-b]pyridine-5,7-dione
CID 106220357
5-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2-methylpentanoic acid
CID 104683031
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]acetamide
CID 113082105
6-(4-hydroxy-2-methylbutyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 66106725
4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2-methylbutanoic acid
CID 80540196
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide
CID 71946746
N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202622
1-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-3-phenylurea
CID 113082169
N-(3-acetylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 4604415

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 61206961) is 6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione is O=C1c2cccnc2C(=O)N1CCCO.
What is the InChIKey of 6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is VACDQJICJIEDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c13-6-2-5-12-9(14)7-3-1-4-11-8(7)10(12)15/h1,3-4,13H,2,5-6H2.
What are the key properties of 6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 206.20 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 61206961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).