1-azaspiro[4.4]nonan-4-one

C8H13NO — CID 19817612

IUPAC1-azaspiro[4.4]nonan-4-one
SMILESO=C1CCNC12CCCC2
InChIInChI=1S/C8H13NO/c10-7-3-6-9-8(7)4-1-2-5-8/h9H,1-6H2
InChIKeyZZYBOKYLKPZWFD-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.86
Rot. Bonds

About 1-azaspiro[4.4]nonan-4-one

1-azaspiro[4.4]nonan-4-one (PubChem CID 19817612) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-azaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name1-azaspiro[4.4]nonan-4-one
PubChem CID19817612
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-azaspiro[4.4]nonan-4-one
SMILESO=C1CCNC12CCCC2
InChIInChI=1S/C8H13NO/c10-7-3-6-9-8(7)4-1-2-5-8/h9H,1-6H2
InChIKeyZZYBOKYLKPZWFD-UHFFFAOYSA-N
XLogP0.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[4.4]nonan-4-one?
The IUPAC name of 1-azaspiro[4.4]nonan-4-one (CID 19817612) is 1-azaspiro[4.4]nonan-4-one.
What is the SMILES notation for 1-azaspiro[4.4]nonan-4-one?
The canonical SMILES for 1-azaspiro[4.4]nonan-4-one is O=C1CCNC12CCCC2.
What is the InChIKey of 1-azaspiro[4.4]nonan-4-one?
The InChIKey is ZZYBOKYLKPZWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c10-7-3-6-9-8(7)4-1-2-5-8/h9H,1-6H2.
What are the key properties of 1-azaspiro[4.4]nonan-4-one?
1-azaspiro[4.4]nonan-4-one has a molecular weight of 139.20 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[4.4]nonan-4-one is sourced from PubChem (CID 19817612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).