8-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-one

C12H19NO2 — CID 62738914

IUPAC8-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2C1CCOCC1
InChIInChI=1S/C12H19NO2/c14-12-7-10-1-2-11(8-12)13(10)9-3-5-15-6-4-9/h9-11H,1-8H2
InChIKeySGIOQJFWBKBUHC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.36
Rot. Bonds1

About 8-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-one

8-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62738914) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 8-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62738914
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name8-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2C1CCOCC1
InChIInChI=1S/C12H19NO2/c14-12-7-10-1-2-11(8-12)13(10)9-3-5-15-6-4-9/h9-11H,1-8H2
InChIKeySGIOQJFWBKBUHC-UHFFFAOYSA-N
XLogP1.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-one (CID 62738914) is 8-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(C1)N2C1CCOCC1.
What is the InChIKey of 8-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is SGIOQJFWBKBUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-12-7-10-1-2-11(8-12)13(10)9-3-5-15-6-4-9/h9-11H,1-8H2.
What are the key properties of 8-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-one?
8-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62738914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).