5-nitroso-3-azoniatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

C10H11N2O+ — CID 176696411

IUPAC5-nitroso-3-azoniatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESO=Nc1c[nH+]c2c(c1)C1CCC2C1
InChIInChI=1S/C10H10N2O/c13-12-8-4-9-6-1-2-7(3-6)10(9)11-5-8/h4-7H,1-3H2/p+1
InChIKeyKFKOWBGATIYUTH-UHFFFAOYSA-O
MW175.21 g/mol
LogP2.26
Rot. Bonds1

About 5-nitroso-3-azoniatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

5-nitroso-3-azoniatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (PubChem CID 176696411) has the molecular formula C10H11N2O+ and a molecular weight of 175.21 g/mol. Its IUPAC name is 5-nitroso-3-azoniatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.

Molecular Properties

Compound Name5-nitroso-3-azoniatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
PubChem CID176696411
Molecular FormulaC10H11N2O+
Molecular Weight175.21 g/mol
Exact Mass175.09
IUPAC Name5-nitroso-3-azoniatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESO=Nc1c[nH+]c2c(c1)C1CCC2C1
InChIInChI=1S/C10H10N2O/c13-12-8-4-9-6-1-2-7(3-6)10(9)11-5-8/h4-7H,1-3H2/p+1
InChIKeyKFKOWBGATIYUTH-UHFFFAOYSA-O
XLogP2.26
TPSA43.57 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-nitroso-3-azoniatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The IUPAC name of 5-nitroso-3-azoniatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (CID 176696411) is 5-nitroso-3-azoniatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.
What is the SMILES notation for 5-nitroso-3-azoniatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The canonical SMILES for 5-nitroso-3-azoniatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is O=Nc1c[nH+]c2c(c1)C1CCC2C1.
What is the InChIKey of 5-nitroso-3-azoniatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The InChIKey is KFKOWBGATIYUTH-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10N2O/c13-12-8-4-9-6-1-2-7(3-6)10(9)11-5-8/h4-7H,1-3H2/p+1.
What are the key properties of 5-nitroso-3-azoniatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
5-nitroso-3-azoniatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene has a molecular weight of 175.21 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroso-3-azoniatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is sourced from PubChem (CID 176696411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).