1,4-dinitrosocyclohexane

C6H10N2O2 — CID 21304116

IUPAC1,4-dinitrosocyclohexane
SMILESO=NC1CCC(N=O)CC1
InChIInChI=1S/C6H10N2O2/c9-7-5-1-2-6(8-10)4-3-5/h5-6H,1-4H2
InChIKeyPMUNUCQMNHUPDB-UHFFFAOYSA-N
MW142.16 g/mol
LogP1.83
Rot. Bonds2

About 1,4-dinitrosocyclohexane

1,4-dinitrosocyclohexane (PubChem CID 21304116) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1,4-dinitrosocyclohexane.

Molecular Properties

Compound Name1,4-dinitrosocyclohexane
PubChem CID21304116
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name1,4-dinitrosocyclohexane
SMILESO=NC1CCC(N=O)CC1
InChIInChI=1S/C6H10N2O2/c9-7-5-1-2-6(8-10)4-3-5/h5-6H,1-4H2
InChIKeyPMUNUCQMNHUPDB-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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Related Compounds

Nitrosocyclohexane
CID 11768540
1,2-Dinitrosocyclohexane
CID 13116335
1,4-Dinitrocyclohexane
CID 15047133
2,5-Dinitrosohexane
CID 54503397
1,3-Dinitrosocyclohexane
CID 54527344
1,1,2,2,3,3-Hexadeuterio-5-nitrosocyclohexane
CID 91298691
1,4-Dinitrosohexane
CID 91464170
trans-(1S,2S)-1,2-dinitrosocyclohexane
CID 118535204
1,3,5-Trinitrosocyclohexane
CID 118601814
1,1-Dideuterio-3-nitrosocyclohexane
CID 123258428
trans-(1R,2R)-1,2-dinitrosocyclohexane
CID 164086617
(Nitrosooxidoammoniumyl)cyclohexane
CID 172967586

Frequently Asked Questions

What is the IUPAC name of 1,4-dinitrosocyclohexane?
The IUPAC name of 1,4-dinitrosocyclohexane (CID 21304116) is 1,4-dinitrosocyclohexane.
What is the SMILES notation for 1,4-dinitrosocyclohexane?
The canonical SMILES for 1,4-dinitrosocyclohexane is O=NC1CCC(N=O)CC1.
What is the InChIKey of 1,4-dinitrosocyclohexane?
The InChIKey is PMUNUCQMNHUPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c9-7-5-1-2-6(8-10)4-3-5/h5-6H,1-4H2.
What are the key properties of 1,4-dinitrosocyclohexane?
1,4-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 1,4-dinitrosocyclohexane is sourced from PubChem (CID 21304116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).