3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one

C12H14N2O — CID 11572253

IUPAC3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one
SMILESCCc1cc(-n2cccc2)c(C)[nH]c1=O
InChIInChI=1S/C12H14N2O/c1-3-10-8-11(9(2)13-12(10)15)14-6-4-5-7-14/h4-8H,3H2,1-2H3,(H,13,15)
InChIKeyGMBCZBOWFHLYNG-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.04
Rot. Bonds2

About 3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one

3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one (PubChem CID 11572253) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one
PubChem CID11572253
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one
SMILESCCc1cc(-n2cccc2)c(C)[nH]c1=O
InChIInChI=1S/C12H14N2O/c1-3-10-8-11(9(2)13-12(10)15)14-6-4-5-7-14/h4-8H,3H2,1-2H3,(H,13,15)
InChIKeyGMBCZBOWFHLYNG-UHFFFAOYSA-N
XLogP2.04
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one?
The IUPAC name of 3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one (CID 11572253) is 3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one?
The canonical SMILES for 3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one is CCc1cc(-n2cccc2)c(C)[nH]c1=O.
What is the InChIKey of 3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one?
The InChIKey is GMBCZBOWFHLYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-10-8-11(9(2)13-12(10)15)14-6-4-5-7-14/h4-8H,3H2,1-2H3,(H,13,15).
What are the key properties of 3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one?
3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one has a molecular weight of 202.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one is sourced from PubChem (CID 11572253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).