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

C8H13NO2 — CID 143136788

IUPACethane;3-hydroxy-1-methylpyridin-2-one
SMILESCC.Cn1cccc(O)c1=O
InChIInChI=1S/C6H7NO2.C2H6/c1-7-4-2-3-5(8)6(7)9;1-2/h2-4,8H,1H3;1-2H3
InChIKeyFVRHTFIHQLBGMV-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.12
Rot. Bonds

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

ethane;3-hydroxy-1-methylpyridin-2-one (PubChem CID 143136788) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is ethane;3-hydroxy-1-methylpyridin-2-one.

Molecular Properties

Compound Nameethane;3-hydroxy-1-methylpyridin-2-one
PubChem CID143136788
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nameethane;3-hydroxy-1-methylpyridin-2-one
SMILESCC.Cn1cccc(O)c1=O
InChIInChI=1S/C6H7NO2.C2H6/c1-7-4-2-3-5(8)6(7)9;1-2/h2-4,8H,1H3;1-2H3
InChIKeyFVRHTFIHQLBGMV-UHFFFAOYSA-N
XLogP1.12
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.12
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 143136788) 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.Cn1cccc(O)c1=O.
What is the InChIKey of ethane;3-hydroxy-1-methylpyridin-2-one?
The InChIKey is FVRHTFIHQLBGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.C2H6/c1-7-4-2-3-5(8)6(7)9;1-2/h2-4,8H,1H3;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 155.20 g/mol, XLogP of 1.12, 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 143136788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).