ethane;6-methoxy-1-methylpyridin-2-one

C9H15NO2 — CID 171833034

IUPACethane;6-methoxy-1-methylpyridin-2-one
SMILESCC.COc1cccc(=O)n1C
InChIInChI=1S/C7H9NO2.C2H6/c1-8-6(9)4-3-5-7(8)10-2;1-2/h3-5H,1-2H3;1-2H3
InChIKeyAUBIQJXEXOKAQR-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.42
Rot. Bonds1

About ethane;6-methoxy-1-methylpyridin-2-one

ethane;6-methoxy-1-methylpyridin-2-one (PubChem CID 171833034) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is ethane;6-methoxy-1-methylpyridin-2-one.

Molecular Properties

Compound Nameethane;6-methoxy-1-methylpyridin-2-one
PubChem CID171833034
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameethane;6-methoxy-1-methylpyridin-2-one
SMILESCC.COc1cccc(=O)n1C
InChIInChI=1S/C7H9NO2.C2H6/c1-8-6(9)4-3-5-7(8)10-2;1-2/h3-5H,1-2H3;1-2H3
InChIKeyAUBIQJXEXOKAQR-UHFFFAOYSA-N
XLogP1.42
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methoxy-1-methylpyridin-2-one?
The IUPAC name of ethane;6-methoxy-1-methylpyridin-2-one (CID 171833034) is ethane;6-methoxy-1-methylpyridin-2-one.
What is the SMILES notation for ethane;6-methoxy-1-methylpyridin-2-one?
The canonical SMILES for ethane;6-methoxy-1-methylpyridin-2-one is CC.COc1cccc(=O)n1C.
What is the InChIKey of ethane;6-methoxy-1-methylpyridin-2-one?
The InChIKey is AUBIQJXEXOKAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.C2H6/c1-8-6(9)4-3-5-7(8)10-2;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of ethane;6-methoxy-1-methylpyridin-2-one?
ethane;6-methoxy-1-methylpyridin-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methoxy-1-methylpyridin-2-one is sourced from PubChem (CID 171833034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).