spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one;dihydrochloride

C11H15Cl2N3O — CID 67031434

IUPACspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one;dihydrochloride
SMILESCl.Cl.O=C1Nc2ncccc2C12CCNCC2
InChIInChI=1S/C11H13N3O.2ClH/c15-10-11(3-6-12-7-4-11)8-2-1-5-13-9(8)14-10;;/h1-2,5,12H,3-4,6-7H2,(H,13,14,15);2*1H
InChIKeyCHLSGEPXXJKLTF-UHFFFAOYSA-N
MW276.17 g/mol
LogP1.50
Rot. Bonds

About spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one;dihydrochloride

spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one;dihydrochloride (PubChem CID 67031434) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one;dihydrochloride.

Molecular Properties

Compound Namespiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one;dihydrochloride
PubChem CID67031434
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Namespiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one;dihydrochloride
SMILESCl.Cl.O=C1Nc2ncccc2C12CCNCC2
InChIInChI=1S/C11H13N3O.2ClH/c15-10-11(3-6-12-7-4-11)8-2-1-5-13-9(8)14-10;;/h1-2,5,12H,3-4,6-7H2,(H,13,14,15);2*1H
InChIKeyCHLSGEPXXJKLTF-UHFFFAOYSA-N
XLogP1.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one;dihydrochloride?
The IUPAC name of spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one;dihydrochloride (CID 67031434) is spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one;dihydrochloride.
What is the SMILES notation for spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one;dihydrochloride?
The canonical SMILES for spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one;dihydrochloride is Cl.Cl.O=C1Nc2ncccc2C12CCNCC2.
What is the InChIKey of spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one;dihydrochloride?
The InChIKey is CHLSGEPXXJKLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.2ClH/c15-10-11(3-6-12-7-4-11)8-2-1-5-13-9(8)14-10;;/h1-2,5,12H,3-4,6-7H2,(H,13,14,15);2*1H.
What are the key properties of spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one;dihydrochloride?
spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one;dihydrochloride has a molecular weight of 276.17 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one;dihydrochloride is sourced from PubChem (CID 67031434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).