Tempone 15N,D16

C9H16NO2 — CID 46195008

IUPAC—
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])[15N]([O])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C(=O)C1([2H])[2H]
InChIInChI=1S/C9H16NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h5-6H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2,10+1
InChIKeyWSGDRFHJFJRSFY-ZDYDSYIGSA-N
MW187.32 g/mol
LogP1.55
Rot. Bonds4

About Tempone 15N,D16

Tempone 15N,D16 (PubChem CID 46195008) has the molecular formula C9H16NO2 and a molecular weight of 187.32 g/mol.

Molecular Properties

Compound NameTempone 15N,D16
PubChem CID46195008
Molecular FormulaC9H16NO2
Molecular Weight187.32 g/mol
Exact Mass187.22
IUPAC Name—
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])[15N]([O])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C(=O)C1([2H])[2H]
InChIInChI=1S/C9H16NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h5-6H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2,10+1
InChIKeyWSGDRFHJFJRSFY-ZDYDSYIGSA-N
XLogP1.55
TPSA40.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.32
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Tempone 15N,D16?
The IUPAC name of Tempone 15N,D16 (CID 46195008) is not available.
What is the SMILES notation for Tempone 15N,D16?
The canonical SMILES for Tempone 15N,D16 is [2H]C([2H])([2H])C1(C([2H])([2H])[2H])[15N]([O])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C(=O)C1([2H])[2H].
What is the InChIKey of Tempone 15N,D16?
The InChIKey is WSGDRFHJFJRSFY-ZDYDSYIGSA-N. The full InChI is InChI=1S/C9H16NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h5-6H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2,10+1.
What are the key properties of Tempone 15N,D16?
Tempone 15N,D16 has a molecular weight of 187.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Tempone 15N,D16 is sourced from PubChem (CID 46195008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).