1-(3,8-diazabicyclo[3.2.1]octan-1-yl)ethanone

C8H14N2O — CID 22906914

IUPAC1-(3,8-diazabicyclo[3.2.1]octan-1-yl)ethanone
SMILESCC(=O)C12CCC(CNC1)N2
InChIInChI=1S/C8H14N2O/c1-6(11)8-3-2-7(10-8)4-9-5-8/h7,9-10H,2-5H2,1H3
InChIKeyPMUMEGWQWHHECV-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.33
Rot. Bonds1

About 1-(3,8-diazabicyclo[3.2.1]octan-1-yl)ethanone

1-(3,8-diazabicyclo[3.2.1]octan-1-yl)ethanone (PubChem CID 22906914) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(3,8-diazabicyclo[3.2.1]octan-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,8-diazabicyclo[3.2.1]octan-1-yl)ethanone
PubChem CID22906914
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(3,8-diazabicyclo[3.2.1]octan-1-yl)ethanone
SMILESCC(=O)C12CCC(CNC1)N2
InChIInChI=1S/C8H14N2O/c1-6(11)8-3-2-7(10-8)4-9-5-8/h7,9-10H,2-5H2,1H3
InChIKeyPMUMEGWQWHHECV-UHFFFAOYSA-N
XLogP-0.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,8-diazabicyclo[3.2.1]octan-1-yl)ethanone?
The IUPAC name of 1-(3,8-diazabicyclo[3.2.1]octan-1-yl)ethanone (CID 22906914) is 1-(3,8-diazabicyclo[3.2.1]octan-1-yl)ethanone.
What is the SMILES notation for 1-(3,8-diazabicyclo[3.2.1]octan-1-yl)ethanone?
The canonical SMILES for 1-(3,8-diazabicyclo[3.2.1]octan-1-yl)ethanone is CC(=O)C12CCC(CNC1)N2.
What is the InChIKey of 1-(3,8-diazabicyclo[3.2.1]octan-1-yl)ethanone?
The InChIKey is PMUMEGWQWHHECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(11)8-3-2-7(10-8)4-9-5-8/h7,9-10H,2-5H2,1H3.
What are the key properties of 1-(3,8-diazabicyclo[3.2.1]octan-1-yl)ethanone?
1-(3,8-diazabicyclo[3.2.1]octan-1-yl)ethanone has a molecular weight of 154.21 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,8-diazabicyclo[3.2.1]octan-1-yl)ethanone is sourced from PubChem (CID 22906914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).