cyclohex-3-en-1-yl-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C14H21NO2 — CID 63763609

IUPACcyclohex-3-en-1-yl-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(C1CC=CCC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H21NO2/c16-13-8-11-6-7-12(9-13)15(11)14(17)10-4-2-1-3-5-10/h1-2,10-13,16H,3-9H2
InChIKeyORKFIZMELTYABS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.86
Rot. Bonds1

About cyclohex-3-en-1-yl-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

cyclohex-3-en-1-yl-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 63763609) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID63763609
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namecyclohex-3-en-1-yl-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(C1CC=CCC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H21NO2/c16-13-8-11-6-7-12(9-13)15(11)14(17)10-4-2-1-3-5-10/h1-2,10-13,16H,3-9H2
InChIKeyORKFIZMELTYABS-UHFFFAOYSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 63763609) is cyclohex-3-en-1-yl-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(C1CC=CCC1)N1C2CCC1CC(O)C2.
What is the InChIKey of cyclohex-3-en-1-yl-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is ORKFIZMELTYABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-13-8-11-6-7-12(9-13)15(11)14(17)10-4-2-1-3-5-10/h1-2,10-13,16H,3-9H2.
What are the key properties of cyclohex-3-en-1-yl-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
cyclohex-3-en-1-yl-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 63763609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).