(4Z)-2-ethenyl-3-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole

C16H16FN — CID 126698373

IUPAC(4Z)-2-ethenyl-3-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole
SMILESC=C/C=C\C=c1\c(/C=C\C(=C)F)c(C=C)[nH]c1=C
InChIInChI=1S/C16H16FN/c1-5-7-8-9-14-13(4)18-16(6-2)15(14)11-10-12(3)17/h5-11,18H,1-4H2/b8-7-,11-10-,14-9+
InChIKeyIMGKNUMQPLDFPH-BSAVHTOBSA-N
MW241.31 g/mol
LogP3.09
Rot. Bonds5

About (4Z)-2-ethenyl-3-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole

(4Z)-2-ethenyl-3-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole (PubChem CID 126698373) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is (4Z)-2-ethenyl-3-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole.

Molecular Properties

Compound Name(4Z)-2-ethenyl-3-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole
PubChem CID126698373
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name(4Z)-2-ethenyl-3-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole
SMILESC=C/C=C\C=c1\c(/C=C\C(=C)F)c(C=C)[nH]c1=C
InChIInChI=1S/C16H16FN/c1-5-7-8-9-14-13(4)18-16(6-2)15(14)11-10-12(3)17/h5-11,18H,1-4H2/b8-7-,11-10-,14-9+
InChIKeyIMGKNUMQPLDFPH-BSAVHTOBSA-N
XLogP3.09
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4Z)-2-ethenyl-3-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-ethenyl-3-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole?
The IUPAC name of (4Z)-2-ethenyl-3-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole (CID 126698373) is (4Z)-2-ethenyl-3-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole.
What is the SMILES notation for (4Z)-2-ethenyl-3-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole?
The canonical SMILES for (4Z)-2-ethenyl-3-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole is C=C/C=C\C=c1\c(/C=C\C(=C)F)c(C=C)[nH]c1=C.
What is the InChIKey of (4Z)-2-ethenyl-3-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole?
The InChIKey is IMGKNUMQPLDFPH-BSAVHTOBSA-N. The full InChI is InChI=1S/C16H16FN/c1-5-7-8-9-14-13(4)18-16(6-2)15(14)11-10-12(3)17/h5-11,18H,1-4H2/b8-7-,11-10-,14-9+.
What are the key properties of (4Z)-2-ethenyl-3-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole?
(4Z)-2-ethenyl-3-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole has a molecular weight of 241.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-ethenyl-3-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole is sourced from PubChem (CID 126698373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).