[(9R,11R)-11-hydroxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] nitrate

C11H11NO4 — CID 46888470

IUPAC[(9R,11R)-11-hydroxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] nitrate
SMILESO=[N+]([O-])O[C@@H]1CC2c3ccccc3C1[C@@H]2O
InChIInChI=1S/C11H11NO4/c13-11-8-5-9(16-12(14)15)10(11)7-4-2-1-3-6(7)8/h1-4,8-11,13H,5H2/t8?,9-,10?,11-/m1/s1
InChIKeyVSCRBMJSUFZPPS-VGRIYTJTSA-N
MW221.21 g/mol
LogP1.21
Rot. Bonds2

About [(9R,11R)-11-hydroxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] nitrate

[(9R,11R)-11-hydroxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] nitrate (PubChem CID 46888470) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is [(9R,11R)-11-hydroxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] nitrate.

Molecular Properties

Compound Name[(9R,11R)-11-hydroxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] nitrate
PubChem CID46888470
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name[(9R,11R)-11-hydroxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] nitrate
SMILESO=[N+]([O-])O[C@@H]1CC2c3ccccc3C1[C@@H]2O
InChIInChI=1S/C11H11NO4/c13-11-8-5-9(16-12(14)15)10(11)7-4-2-1-3-6(7)8/h1-4,8-11,13H,5H2/t8?,9-,10?,11-/m1/s1
InChIKeyVSCRBMJSUFZPPS-VGRIYTJTSA-N
XLogP1.21
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(9R,11R)-11-hydroxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] nitrate?
The IUPAC name of [(9R,11R)-11-hydroxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] nitrate (CID 46888470) is [(9R,11R)-11-hydroxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] nitrate.
What is the SMILES notation for [(9R,11R)-11-hydroxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] nitrate?
The canonical SMILES for [(9R,11R)-11-hydroxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] nitrate is O=[N+]([O-])O[C@@H]1CC2c3ccccc3C1[C@@H]2O.
What is the InChIKey of [(9R,11R)-11-hydroxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] nitrate?
The InChIKey is VSCRBMJSUFZPPS-VGRIYTJTSA-N. The full InChI is InChI=1S/C11H11NO4/c13-11-8-5-9(16-12(14)15)10(11)7-4-2-1-3-6(7)8/h1-4,8-11,13H,5H2/t8?,9-,10?,11-/m1/s1.
What are the key properties of [(9R,11R)-11-hydroxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] nitrate?
[(9R,11R)-11-hydroxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] nitrate has a molecular weight of 221.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(9R,11R)-11-hydroxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] nitrate is sourced from PubChem (CID 46888470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).