4,6-dimethyl-3-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-1H-pyridin-2-one

C15H15NO2S — CID 173481694

IUPAC4,6-dimethyl-3-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)/C=C/c2ccc(C)s2)c(=O)[nH]1
InChIInChI=1S/C15H15NO2S/c1-9-8-10(2)16-15(18)14(9)13(17)7-6-12-5-4-11(3)19-12/h4-8H,1-3H3,(H,16,18)/b7-6+
InChIKeyMVUSUMPFUZAKJV-VOTSOKGWSA-N
MW273.36 g/mol
LogP3.26
Rot. Bonds3

About 4,6-dimethyl-3-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-1H-pyridin-2-one

4,6-dimethyl-3-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-1H-pyridin-2-one (PubChem CID 173481694) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4,6-dimethyl-3-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-1H-pyridin-2-one
PubChem CID173481694
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name4,6-dimethyl-3-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)/C=C/c2ccc(C)s2)c(=O)[nH]1
InChIInChI=1S/C15H15NO2S/c1-9-8-10(2)16-15(18)14(9)13(17)7-6-12-5-4-11(3)19-12/h4-8H,1-3H3,(H,16,18)/b7-6+
InChIKeyMVUSUMPFUZAKJV-VOTSOKGWSA-N
XLogP3.26
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 ≤ 53.26
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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Related Compounds

3-[3-(furan-2-yl)prop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
CID 2839593
1-(3,4-dimethylphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 84855212
5-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 136511469
(E)-1-(2-hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 163409620
6-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one
CID 7638146
ethyl 3,5-dimethyl-4-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-1H-pyrrole-2-carboxylate
CID 7516294
N-(5-methyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 77020045
(E)-1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 8858055
1-(4-ethylphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 131632628
3-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 136500880
(E)-1-(1-methylpyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 19565441
4-[3-(5-methylthiophen-2-yl)prop-2-enoyl]benzonitrile
CID 3813825

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-1H-pyridin-2-one (CID 173481694) is 4,6-dimethyl-3-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-1H-pyridin-2-one is Cc1cc(C)c(C(=O)/C=C/c2ccc(C)s2)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-1H-pyridin-2-one?
The InChIKey is MVUSUMPFUZAKJV-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-9-8-10(2)16-15(18)14(9)13(17)7-6-12-5-4-11(3)19-12/h4-8H,1-3H3,(H,16,18)/b7-6+.
What are the key properties of 4,6-dimethyl-3-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-1H-pyridin-2-one?
4,6-dimethyl-3-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-1H-pyridin-2-one has a molecular weight of 273.36 g/mol, XLogP of 3.26, 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-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-1H-pyridin-2-one is sourced from PubChem (CID 173481694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).