2,2,3,3,4,4,5,5,6,6-decadeuterio-1-nitrosopiperidine

C5H10N2O — CID 59026730

IUPAC2,2,3,3,4,4,5,5,6,6-decadeuterio-1-nitrosopiperidine
SMILES[2H]C1([2H])N(N=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2/i1D2,2D2,3D2,4D2,5D2
InChIKeyUWSDONTXWQOZFN-YXALHFAPSA-N
MW124.21 g/mol
LogP1.15
Rot. Bonds1

About 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-nitrosopiperidine

2,2,3,3,4,4,5,5,6,6-decadeuterio-1-nitrosopiperidine (PubChem CID 59026730) has the molecular formula C5H10N2O and a molecular weight of 124.21 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-nitrosopiperidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decadeuterio-1-nitrosopiperidine
PubChem CID59026730
Molecular FormulaC5H10N2O
Molecular Weight124.21 g/mol
Exact Mass124.14
IUPAC Name2,2,3,3,4,4,5,5,6,6-decadeuterio-1-nitrosopiperidine
SMILES[2H]C1([2H])N(N=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2/i1D2,2D2,3D2,4D2,5D2
InChIKeyUWSDONTXWQOZFN-YXALHFAPSA-N
XLogP1.15
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-nitrosopiperidine?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-nitrosopiperidine (CID 59026730) is 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-nitrosopiperidine.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-nitrosopiperidine?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-nitrosopiperidine is [2H]C1([2H])N(N=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H].
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-nitrosopiperidine?
The InChIKey is UWSDONTXWQOZFN-YXALHFAPSA-N. The full InChI is InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2/i1D2,2D2,3D2,4D2,5D2.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-nitrosopiperidine?
2,2,3,3,4,4,5,5,6,6-decadeuterio-1-nitrosopiperidine has a molecular weight of 124.21 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-nitrosopiperidine is sourced from PubChem (CID 59026730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).