5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one

C11H12BrN3O — CID 90142916

IUPAC5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESO=C1Nc2ncc(Br)cc2C12CCNCC2
InChIInChI=1S/C11H12BrN3O/c12-7-5-8-9(14-6-7)15-10(16)11(8)1-3-13-4-2-11/h5-6,13H,1-4H2,(H,14,15,16)
InChIKeyFVRJMWMDOZKMLC-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.42
Rot. Bonds

About 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one

5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (PubChem CID 90142916) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
PubChem CID90142916
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESO=C1Nc2ncc(Br)cc2C12CCNCC2
InChIInChI=1S/C11H12BrN3O/c12-7-5-8-9(14-6-7)15-10(16)11(8)1-3-13-4-2-11/h5-6,13H,1-4H2,(H,14,15,16)
InChIKeyFVRJMWMDOZKMLC-UHFFFAOYSA-N
XLogP1.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The IUPAC name of 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (CID 90142916) is 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The canonical SMILES for 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is O=C1Nc2ncc(Br)cc2C12CCNCC2.
What is the InChIKey of 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The InChIKey is FVRJMWMDOZKMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-7-5-8-9(14-6-7)15-10(16)11(8)1-3-13-4-2-11/h5-6,13H,1-4H2,(H,14,15,16).
What are the key properties of 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one has a molecular weight of 282.14 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is sourced from PubChem (CID 90142916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).