5-ethyl-3-methyl-1-propylpyridin-2-one

C11H17NO — CID 13169256

IUPAC5-ethyl-3-methyl-1-propylpyridin-2-one
SMILESCCCn1cc(CC)cc(C)c1=O
InChIInChI=1S/C11H17NO/c1-4-6-12-8-10(5-2)7-9(3)11(12)13/h7-8H,4-6H2,1-3H3
InChIKeyNBTBROVLJDDIRA-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.13
Rot. Bonds3

About 5-ethyl-3-methyl-1-propylpyridin-2-one

5-ethyl-3-methyl-1-propylpyridin-2-one (PubChem CID 13169256) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 5-ethyl-3-methyl-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-ethyl-3-methyl-1-propylpyridin-2-one
PubChem CID13169256
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name5-ethyl-3-methyl-1-propylpyridin-2-one
SMILESCCCn1cc(CC)cc(C)c1=O
InChIInChI=1S/C11H17NO/c1-4-6-12-8-10(5-2)7-9(3)11(12)13/h7-8H,4-6H2,1-3H3
InChIKeyNBTBROVLJDDIRA-UHFFFAOYSA-N
XLogP2.13
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-1-propylpyridin-2-one?
The IUPAC name of 5-ethyl-3-methyl-1-propylpyridin-2-one (CID 13169256) is 5-ethyl-3-methyl-1-propylpyridin-2-one.
What is the SMILES notation for 5-ethyl-3-methyl-1-propylpyridin-2-one?
The canonical SMILES for 5-ethyl-3-methyl-1-propylpyridin-2-one is CCCn1cc(CC)cc(C)c1=O.
What is the InChIKey of 5-ethyl-3-methyl-1-propylpyridin-2-one?
The InChIKey is NBTBROVLJDDIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-6-12-8-10(5-2)7-9(3)11(12)13/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-ethyl-3-methyl-1-propylpyridin-2-one?
5-ethyl-3-methyl-1-propylpyridin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-1-propylpyridin-2-one is sourced from PubChem (CID 13169256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).