(2R,3S)-3-hydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one

C7H11NO3 — CID 45083225

IUPAC(2R,3S)-3-hydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one
SMILESCOC1=C[C@H](O)[C@@H](C)NC1=O
InChIInChI=1S/C7H11NO3/c1-4-5(9)3-6(11-2)7(10)8-4/h3-5,9H,1-2H3,(H,8,10)/t4-,5+/m1/s1
InChIKeyOXTCSXYRJCUMMI-UHNVWZDZSA-N
MW157.17 g/mol
LogP-0.60
Rot. Bonds1

About (2R,3S)-3-hydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one

(2R,3S)-3-hydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 45083225) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one
PubChem CID45083225
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(2R,3S)-3-hydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one
SMILESCOC1=C[C@H](O)[C@@H](C)NC1=O
InChIInChI=1S/C7H11NO3/c1-4-5(9)3-6(11-2)7(10)8-4/h3-5,9H,1-2H3,(H,8,10)/t4-,5+/m1/s1
InChIKeyOXTCSXYRJCUMMI-UHNVWZDZSA-N
XLogP-0.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of (2R,3S)-3-hydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one (CID 45083225) is (2R,3S)-3-hydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for (2R,3S)-3-hydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for (2R,3S)-3-hydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one is COC1=C[C@H](O)[C@@H](C)NC1=O.
What is the InChIKey of (2R,3S)-3-hydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is OXTCSXYRJCUMMI-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4-5(9)3-6(11-2)7(10)8-4/h3-5,9H,1-2H3,(H,8,10)/t4-,5+/m1/s1.
What are the key properties of (2R,3S)-3-hydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one?
(2R,3S)-3-hydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 157.17 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 45083225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).