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

C18H30N2O2 — CID 158227486

IUPAC1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCC(=O)N1C2CCCC1CC2.CC(=O)N1C2CCCC1CC2
InChIInChI=1S/2C9H15NO/c2*1-7(11)10-8-3-2-4-9(10)6-5-8/h2*8-9H,2-6H2,1H3
InChIKeyGDYXTWQGMZZNPK-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.10
Rot. Bonds

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

1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 158227486) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID158227486
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCC(=O)N1C2CCCC1CC2.CC(=O)N1C2CCCC1CC2
InChIInChI=1S/2C9H15NO/c2*1-7(11)10-8-3-2-4-9(10)6-5-8/h2*8-9H,2-6H2,1H3
InChIKeyGDYXTWQGMZZNPK-UHFFFAOYSA-N
XLogP3.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone
CID 59172058
1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone
CID 123960456
(2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 130949881
1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 70825449
1-(8-azabicyclo[3.2.1]octan-8-yl)-2,2,2-trifluoroethanone
CID 91805066
methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 13414047
tert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate
CID 69350476
(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid
CID 142736972
1-(2,6-dimethoxypiperidin-1-yl)ethanone
CID 21322863
1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone
CID 13221036
1-(6-methyl-6-azabicyclo[3.2.2]nonan-7-yl)ethanone
CID 70331158
2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one
CID 119328025

Frequently Asked Questions

What is the IUPAC name of 1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 158227486) is 1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone is CC(=O)N1C2CCCC1CC2.CC(=O)N1C2CCCC1CC2.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is GDYXTWQGMZZNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H15NO/c2*1-7(11)10-8-3-2-4-9(10)6-5-8/h2*8-9H,2-6H2,1H3.
What are the key properties of 1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone?
1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 306.45 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 158227486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).