trans-(1S,2S)-1,2-dinitrosocyclohexane

C6H10N2O2 — CID 118535204

IUPACtrans-(1S,2S)-1,2-dinitrosocyclohexane
SMILESO=N[C@H]1CCCC[C@@H]1N=O
InChIInChI=1S/C6H10N2O2/c9-7-5-3-1-2-4-6(5)8-10/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyXCJOMFFNVGLZCV-WDSKDSINSA-N
MW142.16 g/mol
LogP1.83
Rot. Bonds2

About trans-(1S,2S)-1,2-dinitrosocyclohexane

trans-(1S,2S)-1,2-dinitrosocyclohexane (PubChem CID 118535204) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is trans-(1S,2S)-1,2-dinitrosocyclohexane.

Molecular Properties

Compound Nametrans-(1S,2S)-1,2-dinitrosocyclohexane
PubChem CID118535204
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Nametrans-(1S,2S)-1,2-dinitrosocyclohexane
SMILESO=N[C@H]1CCCC[C@@H]1N=O
InChIInChI=1S/C6H10N2O2/c9-7-5-3-1-2-4-6(5)8-10/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyXCJOMFFNVGLZCV-WDSKDSINSA-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 trans-(1S,2S)-1,2-dinitrosocyclohexane?
The IUPAC name of trans-(1S,2S)-1,2-dinitrosocyclohexane (CID 118535204) is trans-(1S,2S)-1,2-dinitrosocyclohexane.
What is the SMILES notation for trans-(1S,2S)-1,2-dinitrosocyclohexane?
The canonical SMILES for trans-(1S,2S)-1,2-dinitrosocyclohexane is O=N[C@H]1CCCC[C@@H]1N=O.
What is the InChIKey of trans-(1S,2S)-1,2-dinitrosocyclohexane?
The InChIKey is XCJOMFFNVGLZCV-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10N2O2/c9-7-5-3-1-2-4-6(5)8-10/h5-6H,1-4H2/t5-,6-/m0/s1.
What are the key properties of trans-(1S,2S)-1,2-dinitrosocyclohexane?
trans-(1S,2S)-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 trans-(1S,2S)-1,2-dinitrosocyclohexane is sourced from PubChem (CID 118535204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).