8-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-one

C8H13NO2 — CID 21265458

IUPAC8-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2CO
InChIInChI=1S/C8H13NO2/c10-5-9-6-1-2-7(9)4-8(11)3-6/h6-7,10H,1-5H2
InChIKeyAMCUPAWYYRMXNG-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.13
Rot. Bonds1

About 8-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-one

8-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 21265458) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 8-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID21265458
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name8-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2CO
InChIInChI=1S/C8H13NO2/c10-5-9-6-1-2-7(9)4-8(11)3-6/h6-7,10H,1-5H2
InChIKeyAMCUPAWYYRMXNG-UHFFFAOYSA-N
XLogP0.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-one (CID 21265458) is 8-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(C1)N2CO.
What is the InChIKey of 8-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is AMCUPAWYYRMXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-5-9-6-1-2-7(9)4-8(11)3-6/h6-7,10H,1-5H2.
What are the key properties of 8-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-one?
8-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 155.20 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 21265458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).