(4-nitrosocyclohexyl)oxidanium

C6H12NO2+ — CID 163932227

IUPAC(4-nitrosocyclohexyl)oxidanium
SMILESO=NC1CCC([OH2+])CC1
InChIInChI=1S/C6H11NO2/c8-6-3-1-5(7-9)2-4-6/h5-6,8H,1-4H2/p+1
InChIKeyRJQRAQUUKXSJCG-UHFFFAOYSA-O
MW130.17 g/mol
LogP0.79
Rot. Bonds1

About (4-nitrosocyclohexyl)oxidanium

(4-nitrosocyclohexyl)oxidanium (PubChem CID 163932227) has the molecular formula C6H12NO2+ and a molecular weight of 130.17 g/mol. Its IUPAC name is (4-nitrosocyclohexyl)oxidanium.

Molecular Properties

Compound Name(4-nitrosocyclohexyl)oxidanium
PubChem CID163932227
Molecular FormulaC6H12NO2+
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(4-nitrosocyclohexyl)oxidanium
SMILESO=NC1CCC([OH2+])CC1
InChIInChI=1S/C6H11NO2/c8-6-3-1-5(7-9)2-4-6/h5-6,8H,1-4H2/p+1
InChIKeyRJQRAQUUKXSJCG-UHFFFAOYSA-O
XLogP0.79
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze (4-nitrosocyclohexyl)oxidanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-nitrosocyclohexyl)oxidanium?
The IUPAC name of (4-nitrosocyclohexyl)oxidanium (CID 163932227) is (4-nitrosocyclohexyl)oxidanium.
What is the SMILES notation for (4-nitrosocyclohexyl)oxidanium?
The canonical SMILES for (4-nitrosocyclohexyl)oxidanium is O=NC1CCC([OH2+])CC1.
What is the InChIKey of (4-nitrosocyclohexyl)oxidanium?
The InChIKey is RJQRAQUUKXSJCG-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11NO2/c8-6-3-1-5(7-9)2-4-6/h5-6,8H,1-4H2/p+1.
What are the key properties of (4-nitrosocyclohexyl)oxidanium?
(4-nitrosocyclohexyl)oxidanium has a molecular weight of 130.17 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrosocyclohexyl)oxidanium is sourced from PubChem (CID 163932227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).