1-[(4S)-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridin-4-one

C12H18N2O2 — CID 79885785

IUPAC1-[(4S)-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridin-4-one
SMILESCO[C@H]1CNCC1n1c(C)cc(=O)cc1C
InChIInChI=1S/C12H18N2O2/c1-8-4-10(15)5-9(2)14(8)11-6-13-7-12(11)16-3/h4-5,11-13H,6-7H2,1-3H3/t11?,12-/m0/s1
InChIKeyZXZVKULLGIUVRG-KIYNQFGBSA-N
MW222.29 g/mol
LogP0.62
Rot. Bonds2

About 1-[(4S)-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridin-4-one

1-[(4S)-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridin-4-one (PubChem CID 79885785) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(4S)-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-[(4S)-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridin-4-one
PubChem CID79885785
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[(4S)-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridin-4-one
SMILESCO[C@H]1CNCC1n1c(C)cc(=O)cc1C
InChIInChI=1S/C12H18N2O2/c1-8-4-10(15)5-9(2)14(8)11-6-13-7-12(11)16-3/h4-5,11-13H,6-7H2,1-3H3/t11?,12-/m0/s1
InChIKeyZXZVKULLGIUVRG-KIYNQFGBSA-N
XLogP0.62
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-[(4S)-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridin-4-one (CID 79885785) is 1-[(4S)-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-[(4S)-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-[(4S)-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridin-4-one is CO[C@H]1CNCC1n1c(C)cc(=O)cc1C.
What is the InChIKey of 1-[(4S)-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridin-4-one?
The InChIKey is ZXZVKULLGIUVRG-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-4-10(15)5-9(2)14(8)11-6-13-7-12(11)16-3/h4-5,11-13H,6-7H2,1-3H3/t11?,12-/m0/s1.
What are the key properties of 1-[(4S)-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridin-4-one?
1-[(4S)-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridin-4-one has a molecular weight of 222.29 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-methoxypyrrolidin-3-yl]-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79885785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).