2-azaspiro[4.4]nonan-4-one

C8H13NO — CID 21494522

IUPAC2-azaspiro[4.4]nonan-4-one
SMILESO=C1CNCC12CCCC2
InChIInChI=1S/C8H13NO/c10-7-5-9-6-8(7)3-1-2-4-8/h9H,1-6H2
InChIKeyAEKHMFUIIIIVAN-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.72
Rot. Bonds

About 2-azaspiro[4.4]nonan-4-one

2-azaspiro[4.4]nonan-4-one (PubChem CID 21494522) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-azaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-azaspiro[4.4]nonan-4-one
PubChem CID21494522
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-azaspiro[4.4]nonan-4-one
SMILESO=C1CNCC12CCCC2
InChIInChI=1S/C8H13NO/c10-7-5-9-6-8(7)3-1-2-4-8/h9H,1-6H2
InChIKeyAEKHMFUIIIIVAN-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Azaspiro[4.4]nonan-4-one hydrochloride
CID 115014607
1-Azaspiro(4.4)nonan-3-one hydrochloride
CID 115014608
1-Azaspiro[4.4]nonan-3-one
CID 85967727
1-Azaspiro[4.4]nonan-4-one
CID 19817612
1-(2-Azaspiro[4.4]nonan-3-yl)ethanone
CID 20647146
2-Azaspiro[4.5]decan-4-one
CID 21494483
1-[(3S)-2-azaspiro[4.4]nonan-3-yl]ethanone
CID 70327526
2-Azaspiro[4.4]nonan-6-one
CID 82418336
6-Azaspiro[3.4]octan-8-one
CID 131166798
2-Azaspiro[4.4]nonane-6,9-dione
CID 153773605
2-Azaspiro[4.4]nonan-7-one
CID 154067712
2-Azaspiro[4.4]nonan-8-one;ethane
CID 171093172

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.4]nonan-4-one?
The IUPAC name of 2-azaspiro[4.4]nonan-4-one (CID 21494522) is 2-azaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-azaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-azaspiro[4.4]nonan-4-one is O=C1CNCC12CCCC2.
What is the InChIKey of 2-azaspiro[4.4]nonan-4-one?
The InChIKey is AEKHMFUIIIIVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c10-7-5-9-6-8(7)3-1-2-4-8/h9H,1-6H2.
What are the key properties of 2-azaspiro[4.4]nonan-4-one?
2-azaspiro[4.4]nonan-4-one has a molecular weight of 139.20 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.4]nonan-4-one is sourced from PubChem (CID 21494522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).