8-hexan-3-yl-8-azabicyclo[3.2.1]octan-3-one

C13H23NO — CID 62739793

IUPAC8-hexan-3-yl-8-azabicyclo[3.2.1]octan-3-one
SMILESCCCC(CC)N1C2CCC1CC(=O)C2
InChIInChI=1S/C13H23NO/c1-3-5-10(4-2)14-11-6-7-12(14)9-13(15)8-11/h10-12H,3-9H2,1-2H3
InChIKeyWZPUVORJJZFNOO-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.76
Rot. Bonds4

About 8-hexan-3-yl-8-azabicyclo[3.2.1]octan-3-one

8-hexan-3-yl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62739793) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 8-hexan-3-yl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-hexan-3-yl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62739793
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name8-hexan-3-yl-8-azabicyclo[3.2.1]octan-3-one
SMILESCCCC(CC)N1C2CCC1CC(=O)C2
InChIInChI=1S/C13H23NO/c1-3-5-10(4-2)14-11-6-7-12(14)9-13(15)8-11/h10-12H,3-9H2,1-2H3
InChIKeyWZPUVORJJZFNOO-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-hexan-3-yl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-hexan-3-yl-8-azabicyclo[3.2.1]octan-3-one (CID 62739793) is 8-hexan-3-yl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-hexan-3-yl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-hexan-3-yl-8-azabicyclo[3.2.1]octan-3-one is CCCC(CC)N1C2CCC1CC(=O)C2.
What is the InChIKey of 8-hexan-3-yl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is WZPUVORJJZFNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-10(4-2)14-11-6-7-12(14)9-13(15)8-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 8-hexan-3-yl-8-azabicyclo[3.2.1]octan-3-one?
8-hexan-3-yl-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 209.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hexan-3-yl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62739793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).