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

C13H14BrN3O2 — CID 90135695

IUPAC1'-acetyl-5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESCC(=O)N1CCC2(CC1)C(=O)Nc1ncc(Br)cc12
InChIInChI=1S/C13H14BrN3O2/c1-8(18)17-4-2-13(3-5-17)10-6-9(14)7-15-11(10)16-12(13)19/h6-7H,2-5H2,1H3,(H,15,16,19)
InChIKeyGSBOBAJNFGOHBF-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.68
Rot. Bonds

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

1'-acetyl-5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (PubChem CID 90135695) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 1'-acetyl-5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-acetyl-5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
PubChem CID90135695
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name1'-acetyl-5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESCC(=O)N1CCC2(CC1)C(=O)Nc1ncc(Br)cc12
InChIInChI=1S/C13H14BrN3O2/c1-8(18)17-4-2-13(3-5-17)10-6-9(14)7-15-11(10)16-12(13)19/h6-7H,2-5H2,1H3,(H,15,16,19)
InChIKeyGSBOBAJNFGOHBF-UHFFFAOYSA-N
XLogP1.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The IUPAC name of 1'-acetyl-5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (CID 90135695) is 1'-acetyl-5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-acetyl-5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-acetyl-5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is CC(=O)N1CCC2(CC1)C(=O)Nc1ncc(Br)cc12.
What is the InChIKey of 1'-acetyl-5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The InChIKey is GSBOBAJNFGOHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-8(18)17-4-2-13(3-5-17)10-6-9(14)7-15-11(10)16-12(13)19/h6-7H,2-5H2,1H3,(H,15,16,19).
What are the key properties of 1'-acetyl-5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
1'-acetyl-5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one has a molecular weight of 324.18 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is sourced from PubChem (CID 90135695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).