1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one

C11H17NO2 — CID 90379571

IUPAC1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one
SMILESCOCCn1cc(C(C)C)ccc1=O
InChIInChI=1S/C11H17NO2/c1-9(2)10-4-5-11(13)12(8-10)6-7-14-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyGQPSYIAREAAZFU-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.62
Rot. Bonds4

About 1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one

1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one (PubChem CID 90379571) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one
PubChem CID90379571
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one
SMILESCOCCn1cc(C(C)C)ccc1=O
InChIInChI=1S/C11H17NO2/c1-9(2)10-4-5-11(13)12(8-10)6-7-14-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyGQPSYIAREAAZFU-UHFFFAOYSA-N
XLogP1.62
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one (CID 90379571) is 1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one is COCCn1cc(C(C)C)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one?
The InChIKey is GQPSYIAREAAZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(2)10-4-5-11(13)12(8-10)6-7-14-3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one?
1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one has a molecular weight of 195.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one is sourced from PubChem (CID 90379571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).