5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one

C15H13N3O — CID 59166722

IUPAC5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SMILESNc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C15H13N3O/c16-11-4-3-9-7-15(8-10(9)6-11)12-2-1-5-17-13(12)18-14(15)19/h1-6H,7-8,16H2,(H,17,18,19)
InChIKeyBWGAKJLOJFNCFI-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.65
Rot. Bonds

About 5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one

5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one (PubChem CID 59166722) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one.

Molecular Properties

Compound Name5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
PubChem CID59166722
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SMILESNc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C15H13N3O/c16-11-4-3-9-7-15(8-10(9)6-11)12-2-1-5-17-13(12)18-14(15)19/h1-6H,7-8,16H2,(H,17,18,19)
InChIKeyBWGAKJLOJFNCFI-UHFFFAOYSA-N
XLogP1.65
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The IUPAC name of 5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one (CID 59166722) is 5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one.
What is the SMILES notation for 5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The canonical SMILES for 5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one is Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of 5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The InChIKey is BWGAKJLOJFNCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-11-4-3-9-7-15(8-10(9)6-11)12-2-1-5-17-13(12)18-14(15)19/h1-6H,7-8,16H2,(H,17,18,19).
What are the key properties of 5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one has a molecular weight of 251.29 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one is sourced from PubChem (CID 59166722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).