(1R,8R)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

C11H9NO2 — CID 98154020

IUPAC(1R,8R)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESO=[N+]([O-])c1cccc2c1[C@H]1C=C[C@H]2C1
InChIInChI=1S/C11H9NO2/c13-12(14)10-3-1-2-9-7-4-5-8(6-7)11(9)10/h1-5,7-8H,6H2/t7-,8-/m0/s1
InChIKeyWDACAIAYIWOBAP-YUMQZZPRSA-N
MW187.20 g/mol
LogP2.74
Rot. Bonds1

About (1R,8R)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

(1R,8R)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (PubChem CID 98154020) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is (1R,8R)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.

Molecular Properties

Compound Name(1R,8R)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
PubChem CID98154020
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name(1R,8R)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESO=[N+]([O-])c1cccc2c1[C@H]1C=C[C@H]2C1
InChIInChI=1S/C11H9NO2/c13-12(14)10-3-1-2-9-7-4-5-8(6-7)11(9)10/h1-5,7-8H,6H2/t7-,8-/m0/s1
InChIKeyWDACAIAYIWOBAP-YUMQZZPRSA-N
XLogP2.74
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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 (1R,8R)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The IUPAC name of (1R,8R)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (CID 98154020) is (1R,8R)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.
What is the SMILES notation for (1R,8R)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The canonical SMILES for (1R,8R)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is O=[N+]([O-])c1cccc2c1[C@H]1C=C[C@H]2C1.
What is the InChIKey of (1R,8R)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The InChIKey is WDACAIAYIWOBAP-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H9NO2/c13-12(14)10-3-1-2-9-7-4-5-8(6-7)11(9)10/h1-5,7-8H,6H2/t7-,8-/m0/s1.
What are the key properties of (1R,8R)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
(1R,8R)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene has a molecular weight of 187.20 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is sourced from PubChem (CID 98154020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).