6-ethyl-3-methyl-1-propan-2-ylpyridin-2-one

C11H17NO — CID 89060120

IUPAC6-ethyl-3-methyl-1-propan-2-ylpyridin-2-one
SMILESCCc1ccc(C)c(=O)n1C(C)C
InChIInChI=1S/C11H17NO/c1-5-10-7-6-9(4)11(13)12(10)8(2)3/h6-8H,5H2,1-4H3
InChIKeyCCVLRMWUHPTPOQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.30
Rot. Bonds2

About 6-ethyl-3-methyl-1-propan-2-ylpyridin-2-one

6-ethyl-3-methyl-1-propan-2-ylpyridin-2-one (PubChem CID 89060120) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 6-ethyl-3-methyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name6-ethyl-3-methyl-1-propan-2-ylpyridin-2-one
PubChem CID89060120
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name6-ethyl-3-methyl-1-propan-2-ylpyridin-2-one
SMILESCCc1ccc(C)c(=O)n1C(C)C
InChIInChI=1S/C11H17NO/c1-5-10-7-6-9(4)11(13)12(10)8(2)3/h6-8H,5H2,1-4H3
InChIKeyCCVLRMWUHPTPOQ-UHFFFAOYSA-N
XLogP2.30
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 6-ethyl-3-methyl-1-propan-2-ylpyridin-2-one (CID 89060120) is 6-ethyl-3-methyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 6-ethyl-3-methyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 6-ethyl-3-methyl-1-propan-2-ylpyridin-2-one is CCc1ccc(C)c(=O)n1C(C)C.
What is the InChIKey of 6-ethyl-3-methyl-1-propan-2-ylpyridin-2-one?
The InChIKey is CCVLRMWUHPTPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-10-7-6-9(4)11(13)12(10)8(2)3/h6-8H,5H2,1-4H3.
What are the key properties of 6-ethyl-3-methyl-1-propan-2-ylpyridin-2-one?
6-ethyl-3-methyl-1-propan-2-ylpyridin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 89060120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).