3-(2-hydroxypropan-2-yl)-1-methylpyridin-2-one

C9H13NO2 — CID 82527306

IUPAC3-(2-hydroxypropan-2-yl)-1-methylpyridin-2-one
SMILESCn1cccc(C(C)(C)O)c1=O
InChIInChI=1S/C9H13NO2/c1-9(2,12)7-5-4-6-10(3)8(7)11/h4-6,12H,1-3H3
InChIKeyOBXYICZYNSXNBQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.61
Rot. Bonds1

About 3-(2-hydroxypropan-2-yl)-1-methylpyridin-2-one

3-(2-hydroxypropan-2-yl)-1-methylpyridin-2-one (PubChem CID 82527306) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yl)-1-methylpyridin-2-one
PubChem CID82527306
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-(2-hydroxypropan-2-yl)-1-methylpyridin-2-one
SMILESCn1cccc(C(C)(C)O)c1=O
InChIInChI=1S/C9H13NO2/c1-9(2,12)7-5-4-6-10(3)8(7)11/h4-6,12H,1-3H3
InChIKeyOBXYICZYNSXNBQ-UHFFFAOYSA-N
XLogP0.61
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yl)-1-methylpyridin-2-one?
The IUPAC name of 3-(2-hydroxypropan-2-yl)-1-methylpyridin-2-one (CID 82527306) is 3-(2-hydroxypropan-2-yl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-(2-hydroxypropan-2-yl)-1-methylpyridin-2-one?
The canonical SMILES for 3-(2-hydroxypropan-2-yl)-1-methylpyridin-2-one is Cn1cccc(C(C)(C)O)c1=O.
What is the InChIKey of 3-(2-hydroxypropan-2-yl)-1-methylpyridin-2-one?
The InChIKey is OBXYICZYNSXNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-9(2,12)7-5-4-6-10(3)8(7)11/h4-6,12H,1-3H3.
What are the key properties of 3-(2-hydroxypropan-2-yl)-1-methylpyridin-2-one?
3-(2-hydroxypropan-2-yl)-1-methylpyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropan-2-yl)-1-methylpyridin-2-one is sourced from PubChem (CID 82527306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).