5-azaspiro[2.5]octan-4-one

C7H11NO — CID 84647850

IUPAC5-azaspiro[2.5]octan-4-one
SMILESO=C1NCCCC12CC2
InChIInChI=1S/C7H11NO/c9-6-7(3-4-7)2-1-5-8-6/h1-5H2,(H,8,9)
InChIKeyGSTXGJILPVWAEE-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.68
Rot. Bonds

About 5-azaspiro[2.5]octan-4-one

5-azaspiro[2.5]octan-4-one (PubChem CID 84647850) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-azaspiro[2.5]octan-4-one.

Molecular Properties

Compound Name5-azaspiro[2.5]octan-4-one
PubChem CID84647850
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name5-azaspiro[2.5]octan-4-one
SMILESO=C1NCCCC12CC2
InChIInChI=1S/C7H11NO/c9-6-7(3-4-7)2-1-5-8-6/h1-5H2,(H,8,9)
InChIKeyGSTXGJILPVWAEE-UHFFFAOYSA-N
XLogP0.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[2.5]octan-4-one?
The IUPAC name of 5-azaspiro[2.5]octan-4-one (CID 84647850) is 5-azaspiro[2.5]octan-4-one.
What is the SMILES notation for 5-azaspiro[2.5]octan-4-one?
The canonical SMILES for 5-azaspiro[2.5]octan-4-one is O=C1NCCCC12CC2.
What is the InChIKey of 5-azaspiro[2.5]octan-4-one?
The InChIKey is GSTXGJILPVWAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c9-6-7(3-4-7)2-1-5-8-6/h1-5H2,(H,8,9).
What are the key properties of 5-azaspiro[2.5]octan-4-one?
5-azaspiro[2.5]octan-4-one has a molecular weight of 125.17 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[2.5]octan-4-one is sourced from PubChem (CID 84647850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).