3,5-dimethoxy-1-propan-2-ylpyridin-2-one;ethane

C12H21NO3 — CID 143160705

IUPAC3,5-dimethoxy-1-propan-2-ylpyridin-2-one;ethane
SMILESCC.COc1cc(OC)c(=O)n(C(C)C)c1
InChIInChI=1S/C10H15NO3.C2H6/c1-7(2)11-6-8(13-3)5-9(14-4)10(11)12;1-2/h5-7H,1-4H3;1-2H3
InChIKeyBLUNYOQIHINJIN-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.47
Rot. Bonds3

About 3,5-dimethoxy-1-propan-2-ylpyridin-2-one;ethane

3,5-dimethoxy-1-propan-2-ylpyridin-2-one;ethane (PubChem CID 143160705) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3,5-dimethoxy-1-propan-2-ylpyridin-2-one;ethane.

Molecular Properties

Compound Name3,5-dimethoxy-1-propan-2-ylpyridin-2-one;ethane
PubChem CID143160705
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3,5-dimethoxy-1-propan-2-ylpyridin-2-one;ethane
SMILESCC.COc1cc(OC)c(=O)n(C(C)C)c1
InChIInChI=1S/C10H15NO3.C2H6/c1-7(2)11-6-8(13-3)5-9(14-4)10(11)12;1-2/h5-7H,1-4H3;1-2H3
InChIKeyBLUNYOQIHINJIN-UHFFFAOYSA-N
XLogP2.47
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-1-propan-2-ylpyridin-2-one;ethane?
The IUPAC name of 3,5-dimethoxy-1-propan-2-ylpyridin-2-one;ethane (CID 143160705) is 3,5-dimethoxy-1-propan-2-ylpyridin-2-one;ethane.
What is the SMILES notation for 3,5-dimethoxy-1-propan-2-ylpyridin-2-one;ethane?
The canonical SMILES for 3,5-dimethoxy-1-propan-2-ylpyridin-2-one;ethane is CC.COc1cc(OC)c(=O)n(C(C)C)c1.
What is the InChIKey of 3,5-dimethoxy-1-propan-2-ylpyridin-2-one;ethane?
The InChIKey is BLUNYOQIHINJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3.C2H6/c1-7(2)11-6-8(13-3)5-9(14-4)10(11)12;1-2/h5-7H,1-4H3;1-2H3.
What are the key properties of 3,5-dimethoxy-1-propan-2-ylpyridin-2-one;ethane?
3,5-dimethoxy-1-propan-2-ylpyridin-2-one;ethane has a molecular weight of 227.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-1-propan-2-ylpyridin-2-one;ethane is sourced from PubChem (CID 143160705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).