ethane;3-hydroxy-1-methylpyridin-2-one

C10H19NO2 — CID 144743428

IUPACethane;3-hydroxy-1-methylpyridin-2-one
SMILESCC.CC.Cn1cccc(O)c1=O
InChIInChI=1S/C6H7NO2.2C2H6/c1-7-4-2-3-5(8)6(7)9;2*1-2/h2-4,8H,1H3;2*1-2H3
InChIKeyWWKSXIOGZAXBFJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.14
Rot. Bonds

About ethane;3-hydroxy-1-methylpyridin-2-one

ethane;3-hydroxy-1-methylpyridin-2-one (PubChem CID 144743428) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethane;3-hydroxy-1-methylpyridin-2-one.

Molecular Properties

Compound Nameethane;3-hydroxy-1-methylpyridin-2-one
PubChem CID144743428
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethane;3-hydroxy-1-methylpyridin-2-one
SMILESCC.CC.Cn1cccc(O)c1=O
InChIInChI=1S/C6H7NO2.2C2H6/c1-7-4-2-3-5(8)6(7)9;2*1-2/h2-4,8H,1H3;2*1-2H3
InChIKeyWWKSXIOGZAXBFJ-UHFFFAOYSA-N
XLogP2.14
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-hydroxy-1-methylpyridin-2-one?
The IUPAC name of ethane;3-hydroxy-1-methylpyridin-2-one (CID 144743428) is ethane;3-hydroxy-1-methylpyridin-2-one.
What is the SMILES notation for ethane;3-hydroxy-1-methylpyridin-2-one?
The canonical SMILES for ethane;3-hydroxy-1-methylpyridin-2-one is CC.CC.Cn1cccc(O)c1=O.
What is the InChIKey of ethane;3-hydroxy-1-methylpyridin-2-one?
The InChIKey is WWKSXIOGZAXBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.2C2H6/c1-7-4-2-3-5(8)6(7)9;2*1-2/h2-4,8H,1H3;2*1-2H3.
What are the key properties of ethane;3-hydroxy-1-methylpyridin-2-one?
ethane;3-hydroxy-1-methylpyridin-2-one has a molecular weight of 185.27 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydroxy-1-methylpyridin-2-one is sourced from PubChem (CID 144743428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).