3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-one

C11H17NO — CID 43810850

IUPAC3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-one
SMILESO=C1C2CCCC1CN(C1CC1)C2
InChIInChI=1S/C11H17NO/c13-11-8-2-1-3-9(11)7-12(6-8)10-4-5-10/h8-10H,1-7H2
InChIKeyRJBDOXZFASAJEV-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.45
Rot. Bonds1

About 3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-one

3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-one (PubChem CID 43810850) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-one
PubChem CID43810850
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-one
SMILESO=C1C2CCCC1CN(C1CC1)C2
InChIInChI=1S/C11H17NO/c13-11-8-2-1-3-9(11)7-12(6-8)10-4-5-10/h8-10H,1-7H2
InChIKeyRJBDOXZFASAJEV-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-one?
The IUPAC name of 3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-one (CID 43810850) is 3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-one is O=C1C2CCCC1CN(C1CC1)C2.
What is the InChIKey of 3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-one?
The InChIKey is RJBDOXZFASAJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c13-11-8-2-1-3-9(11)7-12(6-8)10-4-5-10/h8-10H,1-7H2.
What are the key properties of 3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-one?
3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-one has a molecular weight of 179.26 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 43810850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).