cyclohexyl-nitroso-oxoazanium

C6H11N2O2+ — CID 172967586

IUPACcyclohexyl-nitroso-oxoazanium
SMILESO=N[N+](=O)C1CCCCC1
InChIInChI=1S/C6H11N2O2/c9-7-8(10)6-4-2-1-3-5-6/h6H,1-5H2/q+1
InChIKeyVWVVFPQZKWDEDD-UHFFFAOYSA-N
MW143.17 g/mol
LogP1.78
Rot. Bonds2

About cyclohexyl-nitroso-oxoazanium

cyclohexyl-nitroso-oxoazanium (PubChem CID 172967586) has the molecular formula C6H11N2O2+ and a molecular weight of 143.17 g/mol. Its IUPAC name is cyclohexyl-nitroso-oxoazanium.

Molecular Properties

Compound Namecyclohexyl-nitroso-oxoazanium
PubChem CID172967586
Molecular FormulaC6H11N2O2+
Molecular Weight143.17 g/mol
Exact Mass143.08
IUPAC Namecyclohexyl-nitroso-oxoazanium
SMILESO=N[N+](=O)C1CCCCC1
InChIInChI=1S/C6H11N2O2/c9-7-8(10)6-4-2-1-3-5-6/h6H,1-5H2/q+1
InChIKeyVWVVFPQZKWDEDD-UHFFFAOYSA-N
XLogP1.78
TPSA49.51 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-nitroso-oxoazanium?
The IUPAC name of cyclohexyl-nitroso-oxoazanium (CID 172967586) is cyclohexyl-nitroso-oxoazanium.
What is the SMILES notation for cyclohexyl-nitroso-oxoazanium?
The canonical SMILES for cyclohexyl-nitroso-oxoazanium is O=N[N+](=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-nitroso-oxoazanium?
The InChIKey is VWVVFPQZKWDEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2O2/c9-7-8(10)6-4-2-1-3-5-6/h6H,1-5H2/q+1.
What are the key properties of cyclohexyl-nitroso-oxoazanium?
cyclohexyl-nitroso-oxoazanium has a molecular weight of 143.17 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-nitroso-oxoazanium is sourced from PubChem (CID 172967586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).