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

C16H16FN — CID 135243302

IUPAC(4Z)-3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-1-fluoro-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole
SMILESC=C/C=C\C=c1\c(/C=C\C=C)c(C=C)n(F)c1=C
InChIInChI=1S/C16H16FN/c1-5-8-10-12-14-13(4)18(17)16(7-3)15(14)11-9-6-2/h5-12H,1-4H2/b10-8-,11-9-,14-12+
InChIKeyLHYJIGBOMBAWHX-NKAFUUJOSA-N
MW241.31 g/mol
LogP3.00
Rot. Bonds5

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

(4Z)-3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-1-fluoro-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole (PubChem CID 135243302) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is (4Z)-3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-1-fluoro-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole.

Molecular Properties

Compound Name(4Z)-3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-1-fluoro-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole
PubChem CID135243302
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name(4Z)-3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-1-fluoro-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole
SMILESC=C/C=C\C=c1\c(/C=C\C=C)c(C=C)n(F)c1=C
InChIInChI=1S/C16H16FN/c1-5-8-10-12-14-13(4)18(17)16(7-3)15(14)11-9-6-2/h5-12H,1-4H2/b10-8-,11-9-,14-12+
InChIKeyLHYJIGBOMBAWHX-NKAFUUJOSA-N
XLogP3.00
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-1-fluoro-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole?
The IUPAC name of (4Z)-3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-1-fluoro-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole (CID 135243302) is (4Z)-3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-1-fluoro-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole.
What is the SMILES notation for (4Z)-3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-1-fluoro-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole?
The canonical SMILES for (4Z)-3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-1-fluoro-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole is C=C/C=C\C=c1\c(/C=C\C=C)c(C=C)n(F)c1=C.
What is the InChIKey of (4Z)-3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-1-fluoro-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole?
The InChIKey is LHYJIGBOMBAWHX-NKAFUUJOSA-N. The full InChI is InChI=1S/C16H16FN/c1-5-8-10-12-14-13(4)18(17)16(7-3)15(14)11-9-6-2/h5-12H,1-4H2/b10-8-,11-9-,14-12+.
What are the key properties of (4Z)-3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-1-fluoro-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole?
(4Z)-3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-1-fluoro-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole has a molecular weight of 241.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-1-fluoro-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole is sourced from PubChem (CID 135243302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).