5-azaspiro[2.6]nonan-4-one

C8H13NO — CID 23338568

IUPAC5-azaspiro[2.6]nonan-4-one
SMILESO=C1NCCCCC12CC2
InChIInChI=1S/C8H13NO/c10-7-8(4-5-8)3-1-2-6-9-7/h1-6H2,(H,9,10)
InChIKeyPSJBFXAPZNTBHI-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.07
Rot. Bonds

About 5-azaspiro[2.6]nonan-4-one

5-azaspiro[2.6]nonan-4-one (PubChem CID 23338568) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-azaspiro[2.6]nonan-4-one.

Molecular Properties

Compound Name5-azaspiro[2.6]nonan-4-one
PubChem CID23338568
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name5-azaspiro[2.6]nonan-4-one
SMILESO=C1NCCCCC12CC2
InChIInChI=1S/C8H13NO/c10-7-8(4-5-8)3-1-2-6-9-7/h1-6H2,(H,9,10)
InChIKeyPSJBFXAPZNTBHI-UHFFFAOYSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[2.6]nonan-4-one?
The IUPAC name of 5-azaspiro[2.6]nonan-4-one (CID 23338568) is 5-azaspiro[2.6]nonan-4-one.
What is the SMILES notation for 5-azaspiro[2.6]nonan-4-one?
The canonical SMILES for 5-azaspiro[2.6]nonan-4-one is O=C1NCCCCC12CC2.
What is the InChIKey of 5-azaspiro[2.6]nonan-4-one?
The InChIKey is PSJBFXAPZNTBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c10-7-8(4-5-8)3-1-2-6-9-7/h1-6H2,(H,9,10).
What are the key properties of 5-azaspiro[2.6]nonan-4-one?
5-azaspiro[2.6]nonan-4-one has a molecular weight of 139.20 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[2.6]nonan-4-one is sourced from PubChem (CID 23338568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).