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

C9H13NO — CID 91298594

IUPAC3-ethyl-2,5-dimethyl-1H-pyridin-4-one
SMILESCCc1c(C)[nH]cc(C)c1=O
InChIInChI=1S/C9H13NO/c1-4-8-7(3)10-5-6(2)9(8)11/h5H,4H2,1-3H3,(H,10,11)
InChIKeyAUNMNOMZWYEWIG-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.55
Rot. Bonds1

About 3-ethyl-2,5-dimethyl-1H-pyridin-4-one

3-ethyl-2,5-dimethyl-1H-pyridin-4-one (PubChem CID 91298594) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-ethyl-2,5-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-ethyl-2,5-dimethyl-1H-pyridin-4-one
PubChem CID91298594
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-ethyl-2,5-dimethyl-1H-pyridin-4-one
SMILESCCc1c(C)[nH]cc(C)c1=O
InChIInChI=1S/C9H13NO/c1-4-8-7(3)10-5-6(2)9(8)11/h5H,4H2,1-3H3,(H,10,11)
InChIKeyAUNMNOMZWYEWIG-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 3-ethyl-2,5-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-ethyl-2,5-dimethyl-1H-pyridin-4-one (CID 91298594) is 3-ethyl-2,5-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-ethyl-2,5-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-ethyl-2,5-dimethyl-1H-pyridin-4-one is CCc1c(C)[nH]cc(C)c1=O.
What is the InChIKey of 3-ethyl-2,5-dimethyl-1H-pyridin-4-one?
The InChIKey is AUNMNOMZWYEWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-8-7(3)10-5-6(2)9(8)11/h5H,4H2,1-3H3,(H,10,11).
What are the key properties of 3-ethyl-2,5-dimethyl-1H-pyridin-4-one?
3-ethyl-2,5-dimethyl-1H-pyridin-4-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 3-ethyl-2,5-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 91298594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).