1-[2-(thiophene-3-carbonyl)prop-2-enyl]pyridin-2-one

C13H11NO2S — CID 3007417

IUPAC1-[2-(thiophene-3-carbonyl)prop-2-enyl]pyridin-2-one
SMILESC=C(Cn1ccccc1=O)C(=O)c1ccsc1
InChIInChI=1S/C13H11NO2S/c1-10(13(16)11-5-7-17-9-11)8-14-6-3-2-4-12(14)15/h2-7,9H,1,8H2
InChIKeyZNYZORVWVBVFEA-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.35
Rot. Bonds4

About 1-[2-(thiophene-3-carbonyl)prop-2-enyl]pyridin-2-one

1-[2-(thiophene-3-carbonyl)prop-2-enyl]pyridin-2-one (PubChem CID 3007417) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-[2-(thiophene-3-carbonyl)prop-2-enyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(thiophene-3-carbonyl)prop-2-enyl]pyridin-2-one
PubChem CID3007417
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name1-[2-(thiophene-3-carbonyl)prop-2-enyl]pyridin-2-one
SMILESC=C(Cn1ccccc1=O)C(=O)c1ccsc1
InChIInChI=1S/C13H11NO2S/c1-10(13(16)11-5-7-17-9-11)8-14-6-3-2-4-12(14)15/h2-7,9H,1,8H2
InChIKeyZNYZORVWVBVFEA-UHFFFAOYSA-N
XLogP2.35
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[2-(thiophene-3-carbonyl)prop-2-enyl]pyridin-2-one?
The IUPAC name of 1-[2-(thiophene-3-carbonyl)prop-2-enyl]pyridin-2-one (CID 3007417) is 1-[2-(thiophene-3-carbonyl)prop-2-enyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(thiophene-3-carbonyl)prop-2-enyl]pyridin-2-one?
The canonical SMILES for 1-[2-(thiophene-3-carbonyl)prop-2-enyl]pyridin-2-one is C=C(Cn1ccccc1=O)C(=O)c1ccsc1.
What is the InChIKey of 1-[2-(thiophene-3-carbonyl)prop-2-enyl]pyridin-2-one?
The InChIKey is ZNYZORVWVBVFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c1-10(13(16)11-5-7-17-9-11)8-14-6-3-2-4-12(14)15/h2-7,9H,1,8H2.
What are the key properties of 1-[2-(thiophene-3-carbonyl)prop-2-enyl]pyridin-2-one?
1-[2-(thiophene-3-carbonyl)prop-2-enyl]pyridin-2-one has a molecular weight of 245.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thiophene-3-carbonyl)prop-2-enyl]pyridin-2-one is sourced from PubChem (CID 3007417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).