1,1,2,2,3,3-hexadeuterio-5-nitrosocyclohexane

C6H11NO — CID 91298691

IUPAC1,1,2,2,3,3-hexadeuterio-5-nitrosocyclohexane
SMILES[2H]C1([2H])CC(N=O)CC([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h6H,1-5H2/i1D2,2D2,3D2
InChIKeyAFLQDEOAJRGCOW-NMFSSPJFSA-N
MW119.20 g/mol
LogP2.09
Rot. Bonds1

About 1,1,2,2,3,3-hexadeuterio-5-nitrosocyclohexane

1,1,2,2,3,3-hexadeuterio-5-nitrosocyclohexane (PubChem CID 91298691) has the molecular formula C6H11NO and a molecular weight of 119.20 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexadeuterio-5-nitrosocyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexadeuterio-5-nitrosocyclohexane
PubChem CID91298691
Molecular FormulaC6H11NO
Molecular Weight119.20 g/mol
Exact Mass119.12
IUPAC Name1,1,2,2,3,3-hexadeuterio-5-nitrosocyclohexane
SMILES[2H]C1([2H])CC(N=O)CC([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h6H,1-5H2/i1D2,2D2,3D2
InChIKeyAFLQDEOAJRGCOW-NMFSSPJFSA-N
XLogP2.09
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.20
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexadeuterio-5-nitrosocyclohexane?
The IUPAC name of 1,1,2,2,3,3-hexadeuterio-5-nitrosocyclohexane (CID 91298691) is 1,1,2,2,3,3-hexadeuterio-5-nitrosocyclohexane.
What is the SMILES notation for 1,1,2,2,3,3-hexadeuterio-5-nitrosocyclohexane?
The canonical SMILES for 1,1,2,2,3,3-hexadeuterio-5-nitrosocyclohexane is [2H]C1([2H])CC(N=O)CC([2H])([2H])C1([2H])[2H].
What is the InChIKey of 1,1,2,2,3,3-hexadeuterio-5-nitrosocyclohexane?
The InChIKey is AFLQDEOAJRGCOW-NMFSSPJFSA-N. The full InChI is InChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h6H,1-5H2/i1D2,2D2,3D2.
What are the key properties of 1,1,2,2,3,3-hexadeuterio-5-nitrosocyclohexane?
1,1,2,2,3,3-hexadeuterio-5-nitrosocyclohexane has a molecular weight of 119.20 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexadeuterio-5-nitrosocyclohexane is sourced from PubChem (CID 91298691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).