1-(8-azaspiro[4.5]decan-3-yl)ethanone

C11H19NO — CID 58436643

IUPAC1-(8-azaspiro[4.5]decan-3-yl)ethanone
SMILESCC(=O)C1CCC2(CCNCC2)C1
InChIInChI=1S/C11H19NO/c1-9(13)10-2-3-11(8-10)4-6-12-7-5-11/h10,12H,2-8H2,1H3
InChIKeyXXMNXWXJVRGCLT-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.75
Rot. Bonds1

About 1-(8-azaspiro[4.5]decan-3-yl)ethanone

1-(8-azaspiro[4.5]decan-3-yl)ethanone (PubChem CID 58436643) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(8-azaspiro[4.5]decan-3-yl)ethanone.

Molecular Properties

Compound Name1-(8-azaspiro[4.5]decan-3-yl)ethanone
PubChem CID58436643
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(8-azaspiro[4.5]decan-3-yl)ethanone
SMILESCC(=O)C1CCC2(CCNCC2)C1
InChIInChI=1S/C11H19NO/c1-9(13)10-2-3-11(8-10)4-6-12-7-5-11/h10,12H,2-8H2,1H3
InChIKeyXXMNXWXJVRGCLT-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(8-azaspiro[4.5]decan-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(8-azaspiro[4.5]decan-3-yl)ethanone?
The IUPAC name of 1-(8-azaspiro[4.5]decan-3-yl)ethanone (CID 58436643) is 1-(8-azaspiro[4.5]decan-3-yl)ethanone.
What is the SMILES notation for 1-(8-azaspiro[4.5]decan-3-yl)ethanone?
The canonical SMILES for 1-(8-azaspiro[4.5]decan-3-yl)ethanone is CC(=O)C1CCC2(CCNCC2)C1.
What is the InChIKey of 1-(8-azaspiro[4.5]decan-3-yl)ethanone?
The InChIKey is XXMNXWXJVRGCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(13)10-2-3-11(8-10)4-6-12-7-5-11/h10,12H,2-8H2,1H3.
What are the key properties of 1-(8-azaspiro[4.5]decan-3-yl)ethanone?
1-(8-azaspiro[4.5]decan-3-yl)ethanone has a molecular weight of 181.28 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azaspiro[4.5]decan-3-yl)ethanone is sourced from PubChem (CID 58436643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).