6-ethyl-5-propanoyl-1H-pyridin-2-one

C10H13NO2 — CID 13236508

IUPAC6-ethyl-5-propanoyl-1H-pyridin-2-one
SMILESCCC(=O)c1ccc(=O)[nH]c1CC
InChIInChI=1S/C10H13NO2/c1-3-8-7(9(12)4-2)5-6-10(13)11-8/h5-6H,3-4H2,1-2H3,(H,11,13)
InChIKeyJMDUPPQVQZVCFS-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.53
Rot. Bonds3

About 6-ethyl-5-propanoyl-1H-pyridin-2-one

6-ethyl-5-propanoyl-1H-pyridin-2-one (PubChem CID 13236508) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-ethyl-5-propanoyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-ethyl-5-propanoyl-1H-pyridin-2-one
PubChem CID13236508
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name6-ethyl-5-propanoyl-1H-pyridin-2-one
SMILESCCC(=O)c1ccc(=O)[nH]c1CC
InChIInChI=1S/C10H13NO2/c1-3-8-7(9(12)4-2)5-6-10(13)11-8/h5-6H,3-4H2,1-2H3,(H,11,13)
InChIKeyJMDUPPQVQZVCFS-UHFFFAOYSA-N
XLogP1.53
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-propanoyl-1H-pyridin-2-one?
The IUPAC name of 6-ethyl-5-propanoyl-1H-pyridin-2-one (CID 13236508) is 6-ethyl-5-propanoyl-1H-pyridin-2-one.
What is the SMILES notation for 6-ethyl-5-propanoyl-1H-pyridin-2-one?
The canonical SMILES for 6-ethyl-5-propanoyl-1H-pyridin-2-one is CCC(=O)c1ccc(=O)[nH]c1CC.
What is the InChIKey of 6-ethyl-5-propanoyl-1H-pyridin-2-one?
The InChIKey is JMDUPPQVQZVCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-8-7(9(12)4-2)5-6-10(13)11-8/h5-6H,3-4H2,1-2H3,(H,11,13).
What are the key properties of 6-ethyl-5-propanoyl-1H-pyridin-2-one?
6-ethyl-5-propanoyl-1H-pyridin-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-propanoyl-1H-pyridin-2-one is sourced from PubChem (CID 13236508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).