2-[(2S)-4-acetylmorpholin-2-yl]-6-methyl-1H-pyridin-4-one

C12H16N2O3 — CID 95841385

IUPAC2-[(2S)-4-acetylmorpholin-2-yl]-6-methyl-1H-pyridin-4-one
SMILESCC(=O)N1CCO[C@H](c2cc(=O)cc(C)[nH]2)C1
InChIInChI=1S/C12H16N2O3/c1-8-5-10(16)6-11(13-8)12-7-14(9(2)15)3-4-17-12/h5-6,12H,3-4,7H2,1-2H3,(H,13,16)/t12-/m0/s1
InChIKeyJZOWEWZOUPYFAU-LBPRGKRZSA-N
MW236.27 g/mol
LogP0.60
Rot. Bonds1

About 2-[(2S)-4-acetylmorpholin-2-yl]-6-methyl-1H-pyridin-4-one

2-[(2S)-4-acetylmorpholin-2-yl]-6-methyl-1H-pyridin-4-one (PubChem CID 95841385) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(2S)-4-acetylmorpholin-2-yl]-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[(2S)-4-acetylmorpholin-2-yl]-6-methyl-1H-pyridin-4-one
PubChem CID95841385
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[(2S)-4-acetylmorpholin-2-yl]-6-methyl-1H-pyridin-4-one
SMILESCC(=O)N1CCO[C@H](c2cc(=O)cc(C)[nH]2)C1
InChIInChI=1S/C12H16N2O3/c1-8-5-10(16)6-11(13-8)12-7-14(9(2)15)3-4-17-12/h5-6,12H,3-4,7H2,1-2H3,(H,13,16)/t12-/m0/s1
InChIKeyJZOWEWZOUPYFAU-LBPRGKRZSA-N
XLogP0.60
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-acetylmorpholin-2-yl]-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-[(2S)-4-acetylmorpholin-2-yl]-6-methyl-1H-pyridin-4-one (CID 95841385) is 2-[(2S)-4-acetylmorpholin-2-yl]-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[(2S)-4-acetylmorpholin-2-yl]-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-[(2S)-4-acetylmorpholin-2-yl]-6-methyl-1H-pyridin-4-one is CC(=O)N1CCO[C@H](c2cc(=O)cc(C)[nH]2)C1.
What is the InChIKey of 2-[(2S)-4-acetylmorpholin-2-yl]-6-methyl-1H-pyridin-4-one?
The InChIKey is JZOWEWZOUPYFAU-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-5-10(16)6-11(13-8)12-7-14(9(2)15)3-4-17-12/h5-6,12H,3-4,7H2,1-2H3,(H,13,16)/t12-/m0/s1.
What are the key properties of 2-[(2S)-4-acetylmorpholin-2-yl]-6-methyl-1H-pyridin-4-one?
2-[(2S)-4-acetylmorpholin-2-yl]-6-methyl-1H-pyridin-4-one has a molecular weight of 236.27 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-acetylmorpholin-2-yl]-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 95841385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).