2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,3'-azetidine]-1'-carboxylic acid

C10H9N3O3 — CID 122610682

IUPAC2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,3'-azetidine]-1'-carboxylic acid
SMILESO=C(O)N1CC2(C1)C(=O)Nc1cnccc12
InChIInChI=1S/C10H9N3O3/c14-8-10(4-13(5-10)9(15)16)6-1-2-11-3-7(6)12-8/h1-3H,4-5H2,(H,12,14)(H,15,16)
InChIKeyFIALQJQOUWKLJR-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.27
Rot. Bonds

About 2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,3'-azetidine]-1'-carboxylic acid

2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,3'-azetidine]-1'-carboxylic acid (PubChem CID 122610682) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,3'-azetidine]-1'-carboxylic acid.

Molecular Properties

Compound Name2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,3'-azetidine]-1'-carboxylic acid
PubChem CID122610682
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,3'-azetidine]-1'-carboxylic acid
SMILESO=C(O)N1CC2(C1)C(=O)Nc1cnccc12
InChIInChI=1S/C10H9N3O3/c14-8-10(4-13(5-10)9(15)16)6-1-2-11-3-7(6)12-8/h1-3H,4-5H2,(H,12,14)(H,15,16)
InChIKeyFIALQJQOUWKLJR-UHFFFAOYSA-N
XLogP0.27
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,3'-azetidine]-1'-carboxylic acid?
The IUPAC name of 2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,3'-azetidine]-1'-carboxylic acid (CID 122610682) is 2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,3'-azetidine]-1'-carboxylic acid.
What is the SMILES notation for 2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,3'-azetidine]-1'-carboxylic acid?
The canonical SMILES for 2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,3'-azetidine]-1'-carboxylic acid is O=C(O)N1CC2(C1)C(=O)Nc1cnccc12.
What is the InChIKey of 2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,3'-azetidine]-1'-carboxylic acid?
The InChIKey is FIALQJQOUWKLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-8-10(4-13(5-10)9(15)16)6-1-2-11-3-7(6)12-8/h1-3H,4-5H2,(H,12,14)(H,15,16).
What are the key properties of 2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,3'-azetidine]-1'-carboxylic acid?
2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,3'-azetidine]-1'-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,3'-azetidine]-1'-carboxylic acid is sourced from PubChem (CID 122610682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).