1-(8-azabicyclo[3.2.1]octan-1-yl)ethanone

C9H15NO — CID 140985479

IUPAC1-(8-azabicyclo[3.2.1]octan-1-yl)ethanone
SMILESCC(=O)C12CCCC(CC1)N2
InChIInChI=1S/C9H15NO/c1-7(11)9-5-2-3-8(10-9)4-6-9/h8,10H,2-6H2,1H3
InChIKeyNEHMKRXBQILDTH-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.25
Rot. Bonds1

About 1-(8-azabicyclo[3.2.1]octan-1-yl)ethanone

1-(8-azabicyclo[3.2.1]octan-1-yl)ethanone (PubChem CID 140985479) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]octan-1-yl)ethanone.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]octan-1-yl)ethanone
PubChem CID140985479
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name1-(8-azabicyclo[3.2.1]octan-1-yl)ethanone
SMILESCC(=O)C12CCCC(CC1)N2
InChIInChI=1S/C9H15NO/c1-7(11)9-5-2-3-8(10-9)4-6-9/h8,10H,2-6H2,1H3
InChIKeyNEHMKRXBQILDTH-UHFFFAOYSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-azabicyclo[3.2.1]octan-1-yl)ethanone?
The IUPAC name of 1-(8-azabicyclo[3.2.1]octan-1-yl)ethanone (CID 140985479) is 1-(8-azabicyclo[3.2.1]octan-1-yl)ethanone.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]octan-1-yl)ethanone?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]octan-1-yl)ethanone is CC(=O)C12CCCC(CC1)N2.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]octan-1-yl)ethanone?
The InChIKey is NEHMKRXBQILDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(11)9-5-2-3-8(10-9)4-6-9/h8,10H,2-6H2,1H3.
What are the key properties of 1-(8-azabicyclo[3.2.1]octan-1-yl)ethanone?
1-(8-azabicyclo[3.2.1]octan-1-yl)ethanone has a molecular weight of 153.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azabicyclo[3.2.1]octan-1-yl)ethanone is sourced from PubChem (CID 140985479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).