2-(5-bromo-6-methyl-2-pyridinyl)-2-azaspiro[4.5]decane-1,3-dione

C15H17BrN2O2 — CID 79048675

IUPAC2-(5-bromo-6-methyl-2-pyridinyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESCc1nc(N2C(=O)CC3(CCCCC3)C2=O)ccc1Br
InChIInChI=1S/C15H17BrN2O2/c1-10-11(16)5-6-12(17-10)18-13(19)9-15(14(18)20)7-3-2-4-8-15/h5-6H,2-4,7-9H2,1H3
InChIKeyZDILOAYKQKXPCS-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.37
Rot. Bonds1

About 2-(5-bromo-6-methyl-2-pyridinyl)-2-azaspiro[4.5]decane-1,3-dione

2-(5-bromo-6-methyl-2-pyridinyl)-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 79048675) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-(5-bromo-6-methyl-2-pyridinyl)-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(5-bromo-6-methyl-2-pyridinyl)-2-azaspiro[4.5]decane-1,3-dione
PubChem CID79048675
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name2-(5-bromo-6-methyl-2-pyridinyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESCc1nc(N2C(=O)CC3(CCCCC3)C2=O)ccc1Br
InChIInChI=1S/C15H17BrN2O2/c1-10-11(16)5-6-12(17-10)18-13(19)9-15(14(18)20)7-3-2-4-8-15/h5-6H,2-4,7-9H2,1H3
InChIKeyZDILOAYKQKXPCS-UHFFFAOYSA-N
XLogP3.37
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-methyl-2-pyridinyl)-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(5-bromo-6-methyl-2-pyridinyl)-2-azaspiro[4.5]decane-1,3-dione (CID 79048675) is 2-(5-bromo-6-methyl-2-pyridinyl)-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(5-bromo-6-methyl-2-pyridinyl)-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(5-bromo-6-methyl-2-pyridinyl)-2-azaspiro[4.5]decane-1,3-dione is Cc1nc(N2C(=O)CC3(CCCCC3)C2=O)ccc1Br.
What is the InChIKey of 2-(5-bromo-6-methyl-2-pyridinyl)-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is ZDILOAYKQKXPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10-11(16)5-6-12(17-10)18-13(19)9-15(14(18)20)7-3-2-4-8-15/h5-6H,2-4,7-9H2,1H3.
What are the key properties of 2-(5-bromo-6-methyl-2-pyridinyl)-2-azaspiro[4.5]decane-1,3-dione?
2-(5-bromo-6-methyl-2-pyridinyl)-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 337.22 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-methyl-2-pyridinyl)-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 79048675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).