1-[(1S)-1-thiophen-2-ylprop-2-enyl]pyridin-2-one

C12H11NOS — CID 102503081

IUPAC1-[(1S)-1-thiophen-2-ylprop-2-enyl]pyridin-2-one
SMILESC=C[C@@H](c1cccs1)n1ccccc1=O
InChIInChI=1S/C12H11NOS/c1-2-10(11-6-5-9-15-11)13-8-4-3-7-12(13)14/h2-10H,1H2/t10-/m0/s1
InChIKeyJMLGMHCSUDWBJW-JTQLQIEISA-N
MW217.29 g/mol
LogP2.69
Rot. Bonds3

About 1-[(1S)-1-thiophen-2-ylprop-2-enyl]pyridin-2-one

1-[(1S)-1-thiophen-2-ylprop-2-enyl]pyridin-2-one (PubChem CID 102503081) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-[(1S)-1-thiophen-2-ylprop-2-enyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(1S)-1-thiophen-2-ylprop-2-enyl]pyridin-2-one
PubChem CID102503081
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-[(1S)-1-thiophen-2-ylprop-2-enyl]pyridin-2-one
SMILESC=C[C@@H](c1cccs1)n1ccccc1=O
InChIInChI=1S/C12H11NOS/c1-2-10(11-6-5-9-15-11)13-8-4-3-7-12(13)14/h2-10H,1H2/t10-/m0/s1
InChIKeyJMLGMHCSUDWBJW-JTQLQIEISA-N
XLogP2.69
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexylthiophene-2-carboxamide
CID 855035
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Cyto9G3
CID 2732031
(E)-1-pyrrolidin-1-yl-3-thiophen-2-ylprop-2-en-1-one
CID 2311880
1-(2-Oxo-2-(thiophen-2-yl)ethyl)pyridin-2(1H)-one
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(2E,4E,6E)-1-(3,4-dihydro-2H-pyridin-1-yl)-7-thiophen-2-ylhepta-2,4,6-trien-1-one
CID 73346583
Thiophene-2-carboxamide, N-ethyl-N-butyl-
CID 2164665
N,N-diethylthiophene-2-carboxamide
CID 962897
(2-Ethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 2842657
3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 42928723
N-ethyl-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 45825484

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-thiophen-2-ylprop-2-enyl]pyridin-2-one?
The IUPAC name of 1-[(1S)-1-thiophen-2-ylprop-2-enyl]pyridin-2-one (CID 102503081) is 1-[(1S)-1-thiophen-2-ylprop-2-enyl]pyridin-2-one.
What is the SMILES notation for 1-[(1S)-1-thiophen-2-ylprop-2-enyl]pyridin-2-one?
The canonical SMILES for 1-[(1S)-1-thiophen-2-ylprop-2-enyl]pyridin-2-one is C=C[C@@H](c1cccs1)n1ccccc1=O.
What is the InChIKey of 1-[(1S)-1-thiophen-2-ylprop-2-enyl]pyridin-2-one?
The InChIKey is JMLGMHCSUDWBJW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H11NOS/c1-2-10(11-6-5-9-15-11)13-8-4-3-7-12(13)14/h2-10H,1H2/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-thiophen-2-ylprop-2-enyl]pyridin-2-one?
1-[(1S)-1-thiophen-2-ylprop-2-enyl]pyridin-2-one has a molecular weight of 217.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-thiophen-2-ylprop-2-enyl]pyridin-2-one is sourced from PubChem (CID 102503081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).