cyclohexyl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C14H23NO2 — CID 171937715

IUPACcyclohexyl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESO=C(C1CCCCC1)C1CC2COCC(C1)N2
InChIInChI=1S/C14H23NO2/c16-14(10-4-2-1-3-5-10)11-6-12-8-17-9-13(7-11)15-12/h10-13,15H,1-9H2
InChIKeyGJUWRIRBOGDMOL-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.90
Rot. Bonds2

About cyclohexyl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

cyclohexyl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171937715) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is cyclohexyl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Namecyclohexyl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171937715
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Namecyclohexyl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESO=C(C1CCCCC1)C1CC2COCC(C1)N2
InChIInChI=1S/C14H23NO2/c16-14(10-4-2-1-3-5-10)11-6-12-8-17-9-13(7-11)15-12/h10-13,15H,1-9H2
InChIKeyGJUWRIRBOGDMOL-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of cyclohexyl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171937715) is cyclohexyl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for cyclohexyl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for cyclohexyl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is O=C(C1CCCCC1)C1CC2COCC(C1)N2.
What is the InChIKey of cyclohexyl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is GJUWRIRBOGDMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-14(10-4-2-1-3-5-10)11-6-12-8-17-9-13(7-11)15-12/h10-13,15H,1-9H2.
What are the key properties of cyclohexyl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
cyclohexyl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 237.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171937715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).