4,6-dimethyl-3-(2-methyl-3-thiophen-2-ylprop-2-enoyl)-1H-pyridin-2-one

C15H15NO2S — CID 2844754

IUPAC4,6-dimethyl-3-(2-methyl-3-thiophen-2-ylprop-2-enoyl)-1H-pyridin-2-one
SMILESCC(=Cc1cccs1)C(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C15H15NO2S/c1-9-7-11(3)16-15(18)13(9)14(17)10(2)8-12-5-4-6-19-12/h4-8H,1-3H3,(H,16,18)
InChIKeyPCPIZVNTTMGNFJ-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.34
Rot. Bonds3

About 4,6-dimethyl-3-(2-methyl-3-thiophen-2-ylprop-2-enoyl)-1H-pyridin-2-one

4,6-dimethyl-3-(2-methyl-3-thiophen-2-ylprop-2-enoyl)-1H-pyridin-2-one (PubChem CID 2844754) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4,6-dimethyl-3-(2-methyl-3-thiophen-2-ylprop-2-enoyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-(2-methyl-3-thiophen-2-ylprop-2-enoyl)-1H-pyridin-2-one
PubChem CID2844754
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name4,6-dimethyl-3-(2-methyl-3-thiophen-2-ylprop-2-enoyl)-1H-pyridin-2-one
SMILESCC(=Cc1cccs1)C(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C15H15NO2S/c1-9-7-11(3)16-15(18)13(9)14(17)10(2)8-12-5-4-6-19-12/h4-8H,1-3H3,(H,16,18)
InChIKeyPCPIZVNTTMGNFJ-UHFFFAOYSA-N
XLogP3.34
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-(2-methyl-3-thiophen-2-ylprop-2-enoyl)-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-(2-methyl-3-thiophen-2-ylprop-2-enoyl)-1H-pyridin-2-one (CID 2844754) is 4,6-dimethyl-3-(2-methyl-3-thiophen-2-ylprop-2-enoyl)-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-(2-methyl-3-thiophen-2-ylprop-2-enoyl)-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-(2-methyl-3-thiophen-2-ylprop-2-enoyl)-1H-pyridin-2-one is CC(=Cc1cccs1)C(=O)c1c(C)cc(C)[nH]c1=O.
What is the InChIKey of 4,6-dimethyl-3-(2-methyl-3-thiophen-2-ylprop-2-enoyl)-1H-pyridin-2-one?
The InChIKey is PCPIZVNTTMGNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-9-7-11(3)16-15(18)13(9)14(17)10(2)8-12-5-4-6-19-12/h4-8H,1-3H3,(H,16,18).
What are the key properties of 4,6-dimethyl-3-(2-methyl-3-thiophen-2-ylprop-2-enoyl)-1H-pyridin-2-one?
4,6-dimethyl-3-(2-methyl-3-thiophen-2-ylprop-2-enoyl)-1H-pyridin-2-one has a molecular weight of 273.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-(2-methyl-3-thiophen-2-ylprop-2-enoyl)-1H-pyridin-2-one is sourced from PubChem (CID 2844754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).