6-deuterio-4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one

C10H15NO2 — CID 175896283

IUPAC6-deuterio-4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one
SMILES[2H]c1cc(OC)c(C(C)C)c(=O)n1C
InChIInChI=1S/C10H15NO2/c1-7(2)9-8(13-4)5-6-11(3)10(9)12/h5-7H,1-4H3/i6D
InChIKeyLXMAHTYAJQHHSO-RAMDWTOOSA-N
MW182.24 g/mol
LogP1.52
Rot. Bonds2

About 6-deuterio-4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one

6-deuterio-4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one (PubChem CID 175896283) has the molecular formula C10H15NO2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 6-deuterio-4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name6-deuterio-4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one
PubChem CID175896283
Molecular FormulaC10H15NO2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name6-deuterio-4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one
SMILES[2H]c1cc(OC)c(C(C)C)c(=O)n1C
InChIInChI=1S/C10H15NO2/c1-7(2)9-8(13-4)5-6-11(3)10(9)12/h5-7H,1-4H3/i6D
InChIKeyLXMAHTYAJQHHSO-RAMDWTOOSA-N
XLogP1.52
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-deuterio-4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one?
The IUPAC name of 6-deuterio-4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one (CID 175896283) is 6-deuterio-4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 6-deuterio-4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 6-deuterio-4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one is [2H]c1cc(OC)c(C(C)C)c(=O)n1C.
What is the InChIKey of 6-deuterio-4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one?
The InChIKey is LXMAHTYAJQHHSO-RAMDWTOOSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(2)9-8(13-4)5-6-11(3)10(9)12/h5-7H,1-4H3/i6D.
What are the key properties of 6-deuterio-4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one?
6-deuterio-4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one has a molecular weight of 182.24 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-deuterio-4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 175896283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).