1-ethyl-6-methylpyridin-2-one

C8H11NO — CID 586299

IUPAC1-ethyl-6-methylpyridin-2-one
SMILESCCn1c(C)cccc1=O
InChIInChI=1S/C8H11NO/c1-3-9-7(2)5-4-6-8(9)10/h4-6H,3H2,1-2H3
InChIKeyXVWYRVKVLNYXFA-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.18
Rot. Bonds1

About 1-ethyl-6-methylpyridin-2-one

1-ethyl-6-methylpyridin-2-one (PubChem CID 586299) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-ethyl-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-6-methylpyridin-2-one
PubChem CID586299
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-ethyl-6-methylpyridin-2-one
SMILESCCn1c(C)cccc1=O
InChIInChI=1S/C8H11NO/c1-3-9-7(2)5-4-6-8(9)10/h4-6H,3H2,1-2H3
InChIKeyXVWYRVKVLNYXFA-UHFFFAOYSA-N
XLogP1.18
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methylpyridin-2-one?
The IUPAC name of 1-ethyl-6-methylpyridin-2-one (CID 586299) is 1-ethyl-6-methylpyridin-2-one.
What is the SMILES notation for 1-ethyl-6-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-6-methylpyridin-2-one is CCn1c(C)cccc1=O.
What is the InChIKey of 1-ethyl-6-methylpyridin-2-one?
The InChIKey is XVWYRVKVLNYXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-9-7(2)5-4-6-8(9)10/h4-6H,3H2,1-2H3.
What are the key properties of 1-ethyl-6-methylpyridin-2-one?
1-ethyl-6-methylpyridin-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methylpyridin-2-one is sourced from PubChem (CID 586299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).