1-nitro-2-nitrosocyclohexane

C6H10N2O3 — CID 13262572

IUPAC1-nitro-2-nitrosocyclohexane
SMILESO=NC1CCCCC1[N+](=O)[O-]
InChIInChI=1S/C6H10N2O3/c9-7-5-3-1-2-4-6(5)8(10)11/h5-6H,1-4H2
InChIKeyORXWAZJFGNGPBV-UHFFFAOYSA-N
MW158.16 g/mol
LogP1.34
Rot. Bonds2

About 1-nitro-2-nitrosocyclohexane

1-nitro-2-nitrosocyclohexane (PubChem CID 13262572) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 1-nitro-2-nitrosocyclohexane.

Molecular Properties

Compound Name1-nitro-2-nitrosocyclohexane
PubChem CID13262572
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name1-nitro-2-nitrosocyclohexane
SMILESO=NC1CCCCC1[N+](=O)[O-]
InChIInChI=1S/C6H10N2O3/c9-7-5-3-1-2-4-6(5)8(10)11/h5-6H,1-4H2
InChIKeyORXWAZJFGNGPBV-UHFFFAOYSA-N
XLogP1.34
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 51.34
H-Bond Donors ≤ 50
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'}

Analyze 1-nitro-2-nitrosocyclohexane 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 1-nitro-2-nitrosocyclohexane?
The IUPAC name of 1-nitro-2-nitrosocyclohexane (CID 13262572) is 1-nitro-2-nitrosocyclohexane.
What is the SMILES notation for 1-nitro-2-nitrosocyclohexane?
The canonical SMILES for 1-nitro-2-nitrosocyclohexane is O=NC1CCCCC1[N+](=O)[O-].
What is the InChIKey of 1-nitro-2-nitrosocyclohexane?
The InChIKey is ORXWAZJFGNGPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c9-7-5-3-1-2-4-6(5)8(10)11/h5-6H,1-4H2.
What are the key properties of 1-nitro-2-nitrosocyclohexane?
1-nitro-2-nitrosocyclohexane has a molecular weight of 158.16 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-2-nitrosocyclohexane is sourced from PubChem (CID 13262572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).