spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid

C16H14N2O2 — CID 175212768

IUPACspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC1(CNc3ncccc31)C2
InChIInChI=1S/C16H14N2O2/c19-15(20)10-3-4-11-7-16(8-12(11)6-10)9-18-14-13(16)2-1-5-17-14/h1-6H,7-9H2,(H,17,18)(H,19,20)
InChIKeyYINAFYGRFMHUHI-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.24
Rot. Bonds1

About spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid

spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid (PubChem CID 175212768) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid.

Molecular Properties

Compound Namespiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid
PubChem CID175212768
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Namespiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC1(CNc3ncccc31)C2
InChIInChI=1S/C16H14N2O2/c19-15(20)10-3-4-11-7-16(8-12(11)6-10)9-18-14-13(16)2-1-5-17-14/h1-6H,7-9H2,(H,17,18)(H,19,20)
InChIKeyYINAFYGRFMHUHI-UHFFFAOYSA-N
XLogP2.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid?
The IUPAC name of spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid (CID 175212768) is spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid.
What is the SMILES notation for spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid?
The canonical SMILES for spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid is O=C(O)c1ccc2c(c1)CC1(CNc3ncccc31)C2.
What is the InChIKey of spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid?
The InChIKey is YINAFYGRFMHUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-15(20)10-3-4-11-7-16(8-12(11)6-10)9-18-14-13(16)2-1-5-17-14/h1-6H,7-9H2,(H,17,18)(H,19,20).
What are the key properties of spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid?
spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid is sourced from PubChem (CID 175212768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).