4-(2-methylpropoxy)-1-propan-2-ylpyridin-2-one

C12H19NO2 — CID 164856484

IUPAC4-(2-methylpropoxy)-1-propan-2-ylpyridin-2-one
SMILESCC(C)COc1ccn(C(C)C)c(=O)c1
InChIInChI=1S/C12H19NO2/c1-9(2)8-15-11-5-6-13(10(3)4)12(14)7-11/h5-7,9-10H,8H2,1-4H3
InChIKeyVJTQGIPGOPZOQH-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.46
Rot. Bonds4

About 4-(2-methylpropoxy)-1-propan-2-ylpyridin-2-one

4-(2-methylpropoxy)-1-propan-2-ylpyridin-2-one (PubChem CID 164856484) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name4-(2-methylpropoxy)-1-propan-2-ylpyridin-2-one
PubChem CID164856484
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-(2-methylpropoxy)-1-propan-2-ylpyridin-2-one
SMILESCC(C)COc1ccn(C(C)C)c(=O)c1
InChIInChI=1S/C12H19NO2/c1-9(2)8-15-11-5-6-13(10(3)4)12(14)7-11/h5-7,9-10H,8H2,1-4H3
InChIKeyVJTQGIPGOPZOQH-UHFFFAOYSA-N
XLogP2.46
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 4-(2-methylpropoxy)-1-propan-2-ylpyridin-2-one (CID 164856484) is 4-(2-methylpropoxy)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 4-(2-methylpropoxy)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 4-(2-methylpropoxy)-1-propan-2-ylpyridin-2-one is CC(C)COc1ccn(C(C)C)c(=O)c1.
What is the InChIKey of 4-(2-methylpropoxy)-1-propan-2-ylpyridin-2-one?
The InChIKey is VJTQGIPGOPZOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(2)8-15-11-5-6-13(10(3)4)12(14)7-11/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 4-(2-methylpropoxy)-1-propan-2-ylpyridin-2-one?
4-(2-methylpropoxy)-1-propan-2-ylpyridin-2-one has a molecular weight of 209.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 164856484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).