8-ethyl-8-azabicyclo[4.3.1]decan-10-one

C11H19NO — CID 16657285

IUPAC8-ethyl-8-azabicyclo[4.3.1]decan-10-one
SMILESCCN1CC2CCCCC(C1)C2=O
InChIInChI=1S/C11H19NO/c1-2-12-7-9-5-3-4-6-10(8-12)11(9)13/h9-10H,2-8H2,1H3
InChIKeyVSYDFZMJJBSRDP-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.70
Rot. Bonds1

About 8-ethyl-8-azabicyclo[4.3.1]decan-10-one

8-ethyl-8-azabicyclo[4.3.1]decan-10-one (PubChem CID 16657285) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 8-ethyl-8-azabicyclo[4.3.1]decan-10-one.

Molecular Properties

Compound Name8-ethyl-8-azabicyclo[4.3.1]decan-10-one
PubChem CID16657285
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name8-ethyl-8-azabicyclo[4.3.1]decan-10-one
SMILESCCN1CC2CCCCC(C1)C2=O
InChIInChI=1S/C11H19NO/c1-2-12-7-9-5-3-4-6-10(8-12)11(9)13/h9-10H,2-8H2,1H3
InChIKeyVSYDFZMJJBSRDP-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-8-azabicyclo[4.3.1]decan-10-one?
The IUPAC name of 8-ethyl-8-azabicyclo[4.3.1]decan-10-one (CID 16657285) is 8-ethyl-8-azabicyclo[4.3.1]decan-10-one.
What is the SMILES notation for 8-ethyl-8-azabicyclo[4.3.1]decan-10-one?
The canonical SMILES for 8-ethyl-8-azabicyclo[4.3.1]decan-10-one is CCN1CC2CCCCC(C1)C2=O.
What is the InChIKey of 8-ethyl-8-azabicyclo[4.3.1]decan-10-one?
The InChIKey is VSYDFZMJJBSRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-12-7-9-5-3-4-6-10(8-12)11(9)13/h9-10H,2-8H2,1H3.
What are the key properties of 8-ethyl-8-azabicyclo[4.3.1]decan-10-one?
8-ethyl-8-azabicyclo[4.3.1]decan-10-one has a molecular weight of 181.28 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-8-azabicyclo[4.3.1]decan-10-one is sourced from PubChem (CID 16657285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).