4,5-dinitrosotricyclo[4.3.1.13,8]undecane

C11H16N2O2 — CID 123541321

IUPAC4,5-dinitrosotricyclo[4.3.1.13,8]undecane
SMILESO=NC1C2CC3CC(C2)CC(C3)C1N=O
InChIInChI=1S/C11H16N2O2/c14-12-10-8-2-6-1-7(4-8)5-9(3-6)11(10)13-15/h6-11H,1-5H2
InChIKeyZXAXDGOSXAYOKV-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.71
Rot. Bonds2

About 4,5-dinitrosotricyclo[4.3.1.13,8]undecane

4,5-dinitrosotricyclo[4.3.1.13,8]undecane (PubChem CID 123541321) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4,5-dinitrosotricyclo[4.3.1.13,8]undecane.

Molecular Properties

Compound Name4,5-dinitrosotricyclo[4.3.1.13,8]undecane
PubChem CID123541321
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4,5-dinitrosotricyclo[4.3.1.13,8]undecane
SMILESO=NC1C2CC3CC(C2)CC(C3)C1N=O
InChIInChI=1S/C11H16N2O2/c14-12-10-8-2-6-1-7(4-8)5-9(3-6)11(10)13-15/h6-11H,1-5H2
InChIKeyZXAXDGOSXAYOKV-UHFFFAOYSA-N
XLogP2.71
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dinitrosotricyclo[4.3.1.13,8]undecane?
The IUPAC name of 4,5-dinitrosotricyclo[4.3.1.13,8]undecane (CID 123541321) is 4,5-dinitrosotricyclo[4.3.1.13,8]undecane.
What is the SMILES notation for 4,5-dinitrosotricyclo[4.3.1.13,8]undecane?
The canonical SMILES for 4,5-dinitrosotricyclo[4.3.1.13,8]undecane is O=NC1C2CC3CC(C2)CC(C3)C1N=O.
What is the InChIKey of 4,5-dinitrosotricyclo[4.3.1.13,8]undecane?
The InChIKey is ZXAXDGOSXAYOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-12-10-8-2-6-1-7(4-8)5-9(3-6)11(10)13-15/h6-11H,1-5H2.
What are the key properties of 4,5-dinitrosotricyclo[4.3.1.13,8]undecane?
4,5-dinitrosotricyclo[4.3.1.13,8]undecane has a molecular weight of 208.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dinitrosotricyclo[4.3.1.13,8]undecane is sourced from PubChem (CID 123541321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).