1-[3-(6-(18F)fluoro-3-pyridinyl)prop-2-enyl]pyrrole-2,5-dione

C12H9FN2O2 — CID 91329633

IUPAC1-[3-(6-(18F)fluoro-3-pyridinyl)prop-2-enyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC=Cc1ccc([18F])nc1
InChIInChI=1S/C12H9FN2O2/c13-10-4-3-9(8-14-10)2-1-7-15-11(16)5-6-12(15)17/h1-6,8H,7H2/i13-1
InChIKeyRJIWMIVNNDUFML-HSGWXFLFSA-N
MW231.22 g/mol
LogP1.16
Rot. Bonds3

About 1-[3-(6-(18F)fluoro-3-pyridinyl)prop-2-enyl]pyrrole-2,5-dione

1-[3-(6-(18F)fluoro-3-pyridinyl)prop-2-enyl]pyrrole-2,5-dione (PubChem CID 91329633) has the molecular formula C12H9FN2O2 and a molecular weight of 231.22 g/mol. Its IUPAC name is 1-[3-(6-(18F)fluoro-3-pyridinyl)prop-2-enyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(6-(18F)fluoro-3-pyridinyl)prop-2-enyl]pyrrole-2,5-dione
PubChem CID91329633
Molecular FormulaC12H9FN2O2
Molecular Weight231.22 g/mol
Exact Mass231.07
IUPAC Name1-[3-(6-(18F)fluoro-3-pyridinyl)prop-2-enyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC=Cc1ccc([18F])nc1
InChIInChI=1S/C12H9FN2O2/c13-10-4-3-9(8-14-10)2-1-7-15-11(16)5-6-12(15)17/h1-6,8H,7H2/i13-1
InChIKeyRJIWMIVNNDUFML-HSGWXFLFSA-N
XLogP1.16
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[3-(6-(18F)fluoro-3-pyridinyl)prop-2-enyl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-fluoro-3-pyridinyl)but-3-enal
CID 170481333
5-(3-bromoprop-1-enyl)-2-fluoropyridine
CID 169474982
4-[2-(6-fluoro-3-pyridinyl)ethenyl]aniline
CID 67482043
5-(3-azidoprop-1-enyl)-2-fluoropyridine
CID 169461269
2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione
CID 23047146
N-[1-[(E)-3-(6-fluoro-3-pyridinyl)prop-2-enyl]-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]propanamide
CID 90002812
2-aminoacetic acid;6-fluoropyridine-3-carbaldehyde
CID 174969786
1-[(E)-3-(4-methylphenyl)prop-2-enyl]piperidine-2,6-dione
CID 173100356
2-fluoro-5-[(E)-2-(4-methylsulfanylcyclohexyl)ethenyl]pyridine
CID 20692948
3-[3-[5-(4-fluorophenyl)-2-pyridinyl]prop-2-enyl]imidazolidine-2,4-dione
CID 68826061
1-[4-(4-sulfanylbut-1-enyl)phenyl]pyrrole-2,5-dione
CID 170479284
N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine
CID 169473945

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-(18F)fluoro-3-pyridinyl)prop-2-enyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(6-(18F)fluoro-3-pyridinyl)prop-2-enyl]pyrrole-2,5-dione (CID 91329633) is 1-[3-(6-(18F)fluoro-3-pyridinyl)prop-2-enyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(6-(18F)fluoro-3-pyridinyl)prop-2-enyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(6-(18F)fluoro-3-pyridinyl)prop-2-enyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CC=Cc1ccc([18F])nc1.
What is the InChIKey of 1-[3-(6-(18F)fluoro-3-pyridinyl)prop-2-enyl]pyrrole-2,5-dione?
The InChIKey is RJIWMIVNNDUFML-HSGWXFLFSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-10-4-3-9(8-14-10)2-1-7-15-11(16)5-6-12(15)17/h1-6,8H,7H2/i13-1.
What are the key properties of 1-[3-(6-(18F)fluoro-3-pyridinyl)prop-2-enyl]pyrrole-2,5-dione?
1-[3-(6-(18F)fluoro-3-pyridinyl)prop-2-enyl]pyrrole-2,5-dione has a molecular weight of 231.22 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-(18F)fluoro-3-pyridinyl)prop-2-enyl]pyrrole-2,5-dione is sourced from PubChem (CID 91329633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).