1-(2-azaspiro[4.4]nonan-3-yl)ethanone

C10H17NO — CID 20647146

IUPAC1-(2-azaspiro[4.4]nonan-3-yl)ethanone
SMILESCC(=O)C1CC2(CCCC2)CN1
InChIInChI=1S/C10H17NO/c1-8(12)9-6-10(7-11-9)4-2-3-5-10/h9,11H,2-7H2,1H3
InChIKeyZLHUKPOTOOFIMD-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.50
Rot. Bonds1

About 1-(2-azaspiro[4.4]nonan-3-yl)ethanone

1-(2-azaspiro[4.4]nonan-3-yl)ethanone (PubChem CID 20647146) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(2-azaspiro[4.4]nonan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-azaspiro[4.4]nonan-3-yl)ethanone
PubChem CID20647146
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(2-azaspiro[4.4]nonan-3-yl)ethanone
SMILESCC(=O)C1CC2(CCCC2)CN1
InChIInChI=1S/C10H17NO/c1-8(12)9-6-10(7-11-9)4-2-3-5-10/h9,11H,2-7H2,1H3
InChIKeyZLHUKPOTOOFIMD-UHFFFAOYSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Azaspiro(4.4)nonan-3-one hydrochloride
CID 115014608
1-[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]ethanone
CID 89630837
1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 59470738
1-[(2S,4S)-4-fluoropyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 59470886
1-(4-Fluoropyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 72294827
1-[(2R,4S)-4-fluoropyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 121368338
1-[(2R,4R)-4-fluoropyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 121368339
1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-propylhexan-1-one
CID 129213517
1-[(2S,4S)-4-fluoropyrrolidin-2-yl]-2-propylhexan-1-one
CID 129213605
2-ethyl-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]heptan-1-one
CID 130436504
1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone
CID 142989381
1-Azaspiro[4.4]nonan-3-one
CID 85967727

Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[4.4]nonan-3-yl)ethanone?
The IUPAC name of 1-(2-azaspiro[4.4]nonan-3-yl)ethanone (CID 20647146) is 1-(2-azaspiro[4.4]nonan-3-yl)ethanone.
What is the SMILES notation for 1-(2-azaspiro[4.4]nonan-3-yl)ethanone?
The canonical SMILES for 1-(2-azaspiro[4.4]nonan-3-yl)ethanone is CC(=O)C1CC2(CCCC2)CN1.
What is the InChIKey of 1-(2-azaspiro[4.4]nonan-3-yl)ethanone?
The InChIKey is ZLHUKPOTOOFIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(12)9-6-10(7-11-9)4-2-3-5-10/h9,11H,2-7H2,1H3.
What are the key properties of 1-(2-azaspiro[4.4]nonan-3-yl)ethanone?
1-(2-azaspiro[4.4]nonan-3-yl)ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azaspiro[4.4]nonan-3-yl)ethanone is sourced from PubChem (CID 20647146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).