6-ethyl-4,5-dimethyl-1H-pyridin-2-one

C9H13NO — CID 12589335

IUPAC6-ethyl-4,5-dimethyl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)cc(C)c1C
InChIInChI=1S/C9H13NO/c1-4-8-7(3)6(2)5-9(11)10-8/h5H,4H2,1-3H3,(H,10,11)
InChIKeyWISKSSQNJIWCJN-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.55
Rot. Bonds1

About 6-ethyl-4,5-dimethyl-1H-pyridin-2-one

6-ethyl-4,5-dimethyl-1H-pyridin-2-one (PubChem CID 12589335) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-ethyl-4,5-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-ethyl-4,5-dimethyl-1H-pyridin-2-one
PubChem CID12589335
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name6-ethyl-4,5-dimethyl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)cc(C)c1C
InChIInChI=1S/C9H13NO/c1-4-8-7(3)6(2)5-9(11)10-8/h5H,4H2,1-3H3,(H,10,11)
InChIKeyWISKSSQNJIWCJN-UHFFFAOYSA-N
XLogP1.55
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4,5-dimethyl-1H-pyridin-2-one?
The IUPAC name of 6-ethyl-4,5-dimethyl-1H-pyridin-2-one (CID 12589335) is 6-ethyl-4,5-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 6-ethyl-4,5-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 6-ethyl-4,5-dimethyl-1H-pyridin-2-one is CCc1[nH]c(=O)cc(C)c1C.
What is the InChIKey of 6-ethyl-4,5-dimethyl-1H-pyridin-2-one?
The InChIKey is WISKSSQNJIWCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-8-7(3)6(2)5-9(11)10-8/h5H,4H2,1-3H3,(H,10,11).
What are the key properties of 6-ethyl-4,5-dimethyl-1H-pyridin-2-one?
6-ethyl-4,5-dimethyl-1H-pyridin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4,5-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 12589335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).