5-[hydroxy(methoxy)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one

C17H16N2O3 — CID 123788239

IUPAC5-[hydroxy(methoxy)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SMILESCOC(O)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C17H16N2O3/c1-22-15(20)10-4-5-11-8-17(9-12(11)7-10)13-3-2-6-18-14(13)19-16(17)21/h2-7,15,20H,8-9H2,1H3,(H,18,19,21)
InChIKeyFDJRFLVTQOTONM-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.71
Rot. Bonds2

About 5-[hydroxy(methoxy)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one

5-[hydroxy(methoxy)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one (PubChem CID 123788239) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[hydroxy(methoxy)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one.

Molecular Properties

Compound Name5-[hydroxy(methoxy)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
PubChem CID123788239
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-[hydroxy(methoxy)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SMILESCOC(O)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C17H16N2O3/c1-22-15(20)10-4-5-11-8-17(9-12(11)7-10)13-3-2-6-18-14(13)19-16(17)21/h2-7,15,20H,8-9H2,1H3,(H,18,19,21)
InChIKeyFDJRFLVTQOTONM-UHFFFAOYSA-N
XLogP1.71
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(methoxy)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The IUPAC name of 5-[hydroxy(methoxy)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one (CID 123788239) is 5-[hydroxy(methoxy)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one.
What is the SMILES notation for 5-[hydroxy(methoxy)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The canonical SMILES for 5-[hydroxy(methoxy)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one is COC(O)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of 5-[hydroxy(methoxy)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The InChIKey is FDJRFLVTQOTONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-15(20)10-4-5-11-8-17(9-12(11)7-10)13-3-2-6-18-14(13)19-16(17)21/h2-7,15,20H,8-9H2,1H3,(H,18,19,21).
What are the key properties of 5-[hydroxy(methoxy)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
5-[hydroxy(methoxy)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one has a molecular weight of 296.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy(methoxy)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one is sourced from PubChem (CID 123788239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).