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

C6H9NO — CID 151209362

IUPAC(5S)-5-methyl-3,5-dihydro-2H-pyridin-4-one
SMILESC[C@H]1C=NCCC1=O
InChIInChI=1S/C6H9NO/c1-5-4-7-3-2-6(5)8/h4-5H,2-3H2,1H3/t5-/m0/s1
InChIKeyNJYJFHNCALUTOT-YFKPBYRVSA-N
MW111.14 g/mol
LogP0.67
Rot. Bonds

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

(5S)-5-methyl-3,5-dihydro-2H-pyridin-4-one (PubChem CID 151209362) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (5S)-5-methyl-3,5-dihydro-2H-pyridin-4-one.

Molecular Properties

Compound Name(5S)-5-methyl-3,5-dihydro-2H-pyridin-4-one
PubChem CID151209362
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(5S)-5-methyl-3,5-dihydro-2H-pyridin-4-one
SMILESC[C@H]1C=NCCC1=O
InChIInChI=1S/C6H9NO/c1-5-4-7-3-2-6(5)8/h4-5H,2-3H2,1H3/t5-/m0/s1
InChIKeyNJYJFHNCALUTOT-YFKPBYRVSA-N
XLogP0.67
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3,5-dihydro-2H-pyridin-4-one?
The IUPAC name of (5S)-5-methyl-3,5-dihydro-2H-pyridin-4-one (CID 151209362) is (5S)-5-methyl-3,5-dihydro-2H-pyridin-4-one.
What is the SMILES notation for (5S)-5-methyl-3,5-dihydro-2H-pyridin-4-one?
The canonical SMILES for (5S)-5-methyl-3,5-dihydro-2H-pyridin-4-one is C[C@H]1C=NCCC1=O.
What is the InChIKey of (5S)-5-methyl-3,5-dihydro-2H-pyridin-4-one?
The InChIKey is NJYJFHNCALUTOT-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-4-7-3-2-6(5)8/h4-5H,2-3H2,1H3/t5-/m0/s1.
What are the key properties of (5S)-5-methyl-3,5-dihydro-2H-pyridin-4-one?
(5S)-5-methyl-3,5-dihydro-2H-pyridin-4-one has a molecular weight of 111.14 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3,5-dihydro-2H-pyridin-4-one is sourced from PubChem (CID 151209362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).