3-oct-7-enyl-8-azabicyclo[3.2.1]octan-3-ol

C15H27NO — CID 171959569

IUPAC3-oct-7-enyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCCCCCCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C15H27NO/c1-2-3-4-5-6-7-10-15(17)11-13-8-9-14(12-15)16-13/h2,13-14,16-17H,1,3-12H2
InChIKeyWBSMSGCHCQIDJH-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.16
Rot. Bonds7

About 3-oct-7-enyl-8-azabicyclo[3.2.1]octan-3-ol

3-oct-7-enyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171959569) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-oct-7-enyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-oct-7-enyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171959569
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-oct-7-enyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCCCCCCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C15H27NO/c1-2-3-4-5-6-7-10-15(17)11-13-8-9-14(12-15)16-13/h2,13-14,16-17H,1,3-12H2
InChIKeyWBSMSGCHCQIDJH-UHFFFAOYSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-oct-7-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-oct-7-enyl-8-azabicyclo[3.2.1]octan-3-ol (CID 171959569) is 3-oct-7-enyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-oct-7-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-oct-7-enyl-8-azabicyclo[3.2.1]octan-3-ol is C=CCCCCCCC1(O)CC2CCC(C1)N2.
What is the InChIKey of 3-oct-7-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is WBSMSGCHCQIDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-3-4-5-6-7-10-15(17)11-13-8-9-14(12-15)16-13/h2,13-14,16-17H,1,3-12H2.
What are the key properties of 3-oct-7-enyl-8-azabicyclo[3.2.1]octan-3-ol?
3-oct-7-enyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 237.39 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oct-7-enyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171959569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).