4-(cyclohexen-1-yl)-1-azabicyclo[3.2.1]octan-4-ol

C13H21NO — CID 106651685

IUPAC4-(cyclohexen-1-yl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESOC1(C2=CCCCC2)CCN2CCC1C2
InChIInChI=1S/C13H21NO/c15-13(11-4-2-1-3-5-11)7-9-14-8-6-12(13)10-14/h4,12,15H,1-3,5-10H2
InChIKeyNPNZOHGIRZVYJL-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.94
Rot. Bonds1

About 4-(cyclohexen-1-yl)-1-azabicyclo[3.2.1]octan-4-ol

4-(cyclohexen-1-yl)-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 106651685) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID106651685
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(cyclohexen-1-yl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESOC1(C2=CCCCC2)CCN2CCC1C2
InChIInChI=1S/C13H21NO/c15-13(11-4-2-1-3-5-11)7-9-14-8-6-12(13)10-14/h4,12,15H,1-3,5-10H2
InChIKeyNPNZOHGIRZVYJL-UHFFFAOYSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.94
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 4-(cyclohexen-1-yl)-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-(cyclohexen-1-yl)-1-azabicyclo[3.2.1]octan-4-ol (CID 106651685) is 4-(cyclohexen-1-yl)-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-(cyclohexen-1-yl)-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-(cyclohexen-1-yl)-1-azabicyclo[3.2.1]octan-4-ol is OC1(C2=CCCCC2)CCN2CCC1C2.
What is the InChIKey of 4-(cyclohexen-1-yl)-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is NPNZOHGIRZVYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-13(11-4-2-1-3-5-11)7-9-14-8-6-12(13)10-14/h4,12,15H,1-3,5-10H2.
What are the key properties of 4-(cyclohexen-1-yl)-1-azabicyclo[3.2.1]octan-4-ol?
4-(cyclohexen-1-yl)-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 207.32 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 106651685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).