1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone

C11H17NO — CID 13221036

IUPAC1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone
SMILESCC(=O)N1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H17NO/c1-7(13)12-10-3-8-2-9(5-10)6-11(12)4-8/h8-11H,2-6H2,1H3
InChIKeyJRHOAGCFXRGASI-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.80
Rot. Bonds

About 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone

1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone (PubChem CID 13221036) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone
PubChem CID13221036
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone
SMILESCC(=O)N1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H17NO/c1-7(13)12-10-3-8-2-9(5-10)6-11(12)4-8/h8-11H,2-6H2,1H3
InChIKeyJRHOAGCFXRGASI-UHFFFAOYSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone?
The IUPAC name of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone (CID 13221036) is 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone.
What is the SMILES notation for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone?
The canonical SMILES for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone is CC(=O)N1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone?
The InChIKey is JRHOAGCFXRGASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7(13)12-10-3-8-2-9(5-10)6-11(12)4-8/h8-11H,2-6H2,1H3.
What are the key properties of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone?
1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone has a molecular weight of 179.26 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone is sourced from PubChem (CID 13221036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).