1-(2-azaspiro[4.5]decan-3-yl)ethanone

C11H19NO — CID 20678652

IUPAC1-(2-azaspiro[4.5]decan-3-yl)ethanone
SMILESCC(=O)C1CC2(CCCCC2)CN1
InChIInChI=1S/C11H19NO/c1-9(13)10-7-11(8-12-10)5-3-2-4-6-11/h10,12H,2-8H2,1H3
InChIKeyMSHCMOPDUMXKGF-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.89
Rot. Bonds1

About 1-(2-azaspiro[4.5]decan-3-yl)ethanone

1-(2-azaspiro[4.5]decan-3-yl)ethanone (PubChem CID 20678652) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(2-azaspiro[4.5]decan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-azaspiro[4.5]decan-3-yl)ethanone
PubChem CID20678652
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(2-azaspiro[4.5]decan-3-yl)ethanone
SMILESCC(=O)C1CC2(CCCCC2)CN1
InChIInChI=1S/C11H19NO/c1-9(13)10-7-11(8-12-10)5-3-2-4-6-11/h10,12H,2-8H2,1H3
InChIKeyMSHCMOPDUMXKGF-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[4.5]decan-3-yl)ethanone?
The IUPAC name of 1-(2-azaspiro[4.5]decan-3-yl)ethanone (CID 20678652) is 1-(2-azaspiro[4.5]decan-3-yl)ethanone.
What is the SMILES notation for 1-(2-azaspiro[4.5]decan-3-yl)ethanone?
The canonical SMILES for 1-(2-azaspiro[4.5]decan-3-yl)ethanone is CC(=O)C1CC2(CCCCC2)CN1.
What is the InChIKey of 1-(2-azaspiro[4.5]decan-3-yl)ethanone?
The InChIKey is MSHCMOPDUMXKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(13)10-7-11(8-12-10)5-3-2-4-6-11/h10,12H,2-8H2,1H3.
What are the key properties of 1-(2-azaspiro[4.5]decan-3-yl)ethanone?
1-(2-azaspiro[4.5]decan-3-yl)ethanone has a molecular weight of 181.28 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azaspiro[4.5]decan-3-yl)ethanone is sourced from PubChem (CID 20678652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).