5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyridin-2-one

C12H16N2O3 — CID 28826251

IUPAC5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyridin-2-one
SMILESC[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H](C)O1
InChIInChI=1S/C12H16N2O3/c1-8-6-14(7-9(2)17-8)12(16)10-3-4-11(15)13-5-10/h3-5,8-9H,6-7H2,1-2H3,(H,13,15)/t8-,9+
InChIKeyKAAJPZRSMZRIPT-DTORHVGOSA-N
MW236.27 g/mol
LogP0.62
Rot. Bonds1

About 5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyridin-2-one

5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyridin-2-one (PubChem CID 28826251) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyridin-2-one
PubChem CID28826251
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyridin-2-one
SMILESC[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H](C)O1
InChIInChI=1S/C12H16N2O3/c1-8-6-14(7-9(2)17-8)12(16)10-3-4-11(15)13-5-10/h3-5,8-9H,6-7H2,1-2H3,(H,13,15)/t8-,9+
InChIKeyKAAJPZRSMZRIPT-DTORHVGOSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyridin-2-one (CID 28826251) is 5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyridin-2-one is C[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H](C)O1.
What is the InChIKey of 5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyridin-2-one?
The InChIKey is KAAJPZRSMZRIPT-DTORHVGOSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-6-14(7-9(2)17-8)12(16)10-3-4-11(15)13-5-10/h3-5,8-9H,6-7H2,1-2H3,(H,13,15)/t8-,9+.
What are the key properties of 5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyridin-2-one?
5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyridin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 28826251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).