1,3-dinitrosocyclohexane

C6H10N2O2 — CID 54527344

IUPAC1,3-dinitrosocyclohexane
SMILESO=NC1CCCC(N=O)C1
InChIInChI=1S/C6H10N2O2/c9-7-5-2-1-3-6(4-5)8-10/h5-6H,1-4H2
InChIKeyYUBGQSRKYMKMSL-UHFFFAOYSA-N
MW142.16 g/mol
LogP1.83
Rot. Bonds2

About 1,3-dinitrosocyclohexane

1,3-dinitrosocyclohexane (PubChem CID 54527344) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1,3-dinitrosocyclohexane.

Molecular Properties

Compound Name1,3-dinitrosocyclohexane
PubChem CID54527344
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name1,3-dinitrosocyclohexane
SMILESO=NC1CCCC(N=O)C1
InChIInChI=1S/C6H10N2O2/c9-7-5-2-1-3-6(4-5)8-10/h5-6H,1-4H2
InChIKeyYUBGQSRKYMKMSL-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 1,3-dinitrosocyclohexane?
The IUPAC name of 1,3-dinitrosocyclohexane (CID 54527344) is 1,3-dinitrosocyclohexane.
What is the SMILES notation for 1,3-dinitrosocyclohexane?
The canonical SMILES for 1,3-dinitrosocyclohexane is O=NC1CCCC(N=O)C1.
What is the InChIKey of 1,3-dinitrosocyclohexane?
The InChIKey is YUBGQSRKYMKMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c9-7-5-2-1-3-6(4-5)8-10/h5-6H,1-4H2.
What are the key properties of 1,3-dinitrosocyclohexane?
1,3-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 1,3-dinitrosocyclohexane is sourced from PubChem (CID 54527344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).