3-ethyl-6-propan-2-yl-1H-pyridin-2-one

C10H15NO — CID 20774831

IUPAC3-ethyl-6-propan-2-yl-1H-pyridin-2-one
SMILESCCc1ccc(C(C)C)[nH]c1=O
InChIInChI=1S/C10H15NO/c1-4-8-5-6-9(7(2)3)11-10(8)12/h5-7H,4H2,1-3H3,(H,11,12)
InChIKeyNUAZKCQFFYEEMX-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.06
Rot. Bonds2

About 3-ethyl-6-propan-2-yl-1H-pyridin-2-one

3-ethyl-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 20774831) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-ethyl-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-6-propan-2-yl-1H-pyridin-2-one
PubChem CID20774831
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-ethyl-6-propan-2-yl-1H-pyridin-2-one
SMILESCCc1ccc(C(C)C)[nH]c1=O
InChIInChI=1S/C10H15NO/c1-4-8-5-6-9(7(2)3)11-10(8)12/h5-7H,4H2,1-3H3,(H,11,12)
InChIKeyNUAZKCQFFYEEMX-UHFFFAOYSA-N
XLogP2.06
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-ethyl-6-propan-2-yl-1H-pyridin-2-one (CID 20774831) is 3-ethyl-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-ethyl-6-propan-2-yl-1H-pyridin-2-one is CCc1ccc(C(C)C)[nH]c1=O.
What is the InChIKey of 3-ethyl-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is NUAZKCQFFYEEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-8-5-6-9(7(2)3)11-10(8)12/h5-7H,4H2,1-3H3,(H,11,12).
What are the key properties of 3-ethyl-6-propan-2-yl-1H-pyridin-2-one?
3-ethyl-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 165.24 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 20774831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).