5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one

C6H9NO — CID 130298979

IUPAC5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one
SMILES[2H]C([2H])([2H])C1C=NCCC1=O
InChIInChI=1S/C6H9NO/c1-5-4-7-3-2-6(5)8/h4-5H,2-3H2,1H3/i1D3
InChIKeyNJYJFHNCALUTOT-FIBGUPNXSA-N
MW114.16 g/mol
LogP0.67
Rot. Bonds1

About 5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one

5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one (PubChem CID 130298979) has the molecular formula C6H9NO and a molecular weight of 114.16 g/mol. Its IUPAC name is 5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one.

Molecular Properties

Compound Name5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one
PubChem CID130298979
Molecular FormulaC6H9NO
Molecular Weight114.16 g/mol
Exact Mass114.09
IUPAC Name5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one
SMILES[2H]C([2H])([2H])C1C=NCCC1=O
InChIInChI=1S/C6H9NO/c1-5-4-7-3-2-6(5)8/h4-5H,2-3H2,1H3/i1D3
InChIKeyNJYJFHNCALUTOT-FIBGUPNXSA-N
XLogP0.67
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.16
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one?
The IUPAC name of 5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one (CID 130298979) is 5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one.
What is the SMILES notation for 5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one?
The canonical SMILES for 5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one is [2H]C([2H])([2H])C1C=NCCC1=O.
What is the InChIKey of 5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one?
The InChIKey is NJYJFHNCALUTOT-FIBGUPNXSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-4-7-3-2-6(5)8/h4-5H,2-3H2,1H3/i1D3.
What are the key properties of 5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one?
5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one has a molecular weight of 114.16 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one is sourced from PubChem (CID 130298979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).