1,2-dinitrosocyclohexane

C6H10N2O2 — CID 13116335

IUPAC1,2-dinitrosocyclohexane
SMILESO=NC1CCCCC1N=O
InChIInChI=1S/C6H10N2O2/c9-7-5-3-1-2-4-6(5)8-10/h5-6H,1-4H2
InChIKeyXCJOMFFNVGLZCV-UHFFFAOYSA-N
MW142.16 g/mol
LogP1.83
Rot. Bonds2

About 1,2-dinitrosocyclohexane

1,2-dinitrosocyclohexane (PubChem CID 13116335) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1,2-dinitrosocyclohexane.

Molecular Properties

Compound Name1,2-dinitrosocyclohexane
PubChem CID13116335
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name1,2-dinitrosocyclohexane
SMILESO=NC1CCCCC1N=O
InChIInChI=1S/C6H10N2O2/c9-7-5-3-1-2-4-6(5)8-10/h5-6H,1-4H2
InChIKeyXCJOMFFNVGLZCV-UHFFFAOYSA-N
XLogP1.83
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dinitrosocyclohexane?
The IUPAC name of 1,2-dinitrosocyclohexane (CID 13116335) is 1,2-dinitrosocyclohexane.
What is the SMILES notation for 1,2-dinitrosocyclohexane?
The canonical SMILES for 1,2-dinitrosocyclohexane is O=NC1CCCCC1N=O.
What is the InChIKey of 1,2-dinitrosocyclohexane?
The InChIKey is XCJOMFFNVGLZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c9-7-5-3-1-2-4-6(5)8-10/h5-6H,1-4H2.
What are the key properties of 1,2-dinitrosocyclohexane?
1,2-dinitrosocyclohexane has a molecular weight of 142.16 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dinitrosocyclohexane is sourced from PubChem (CID 13116335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).