(4Z)-2-ethenyl-3-[(E)-2-fluoroprop-1-enyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole

C15H16FN — CID 134351249

IUPAC(4Z)-2-ethenyl-3-[(E)-2-fluoroprop-1-enyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole
SMILESC=C/C=C\C=c1\c(/C=C(\C)F)c(C=C)[nH]c1=C
InChIInChI=1S/C15H16FN/c1-5-7-8-9-13-12(4)17-15(6-2)14(13)10-11(3)16/h5-10,17H,1-2,4H2,3H3/b8-7-,11-10+,13-9+
InChIKeyZGPNWBQDFDGWLP-UZROFBHHSA-N
MW229.30 g/mol
LogP2.92
Rot. Bonds4

About (4Z)-2-ethenyl-3-[(E)-2-fluoroprop-1-enyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole

(4Z)-2-ethenyl-3-[(E)-2-fluoroprop-1-enyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole (PubChem CID 134351249) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is (4Z)-2-ethenyl-3-[(E)-2-fluoroprop-1-enyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole.

Molecular Properties

Compound Name(4Z)-2-ethenyl-3-[(E)-2-fluoroprop-1-enyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole
PubChem CID134351249
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name(4Z)-2-ethenyl-3-[(E)-2-fluoroprop-1-enyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole
SMILESC=C/C=C\C=c1\c(/C=C(\C)F)c(C=C)[nH]c1=C
InChIInChI=1S/C15H16FN/c1-5-7-8-9-13-12(4)17-15(6-2)14(13)10-11(3)16/h5-10,17H,1-2,4H2,3H3/b8-7-,11-10+,13-9+
InChIKeyZGPNWBQDFDGWLP-UZROFBHHSA-N
XLogP2.92
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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)-2-ethenyl-3-[(E)-2-fluoroprop-1-enyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole?
The IUPAC name of (4Z)-2-ethenyl-3-[(E)-2-fluoroprop-1-enyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole (CID 134351249) is (4Z)-2-ethenyl-3-[(E)-2-fluoroprop-1-enyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole.
What is the SMILES notation for (4Z)-2-ethenyl-3-[(E)-2-fluoroprop-1-enyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole?
The canonical SMILES for (4Z)-2-ethenyl-3-[(E)-2-fluoroprop-1-enyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole is C=C/C=C\C=c1\c(/C=C(\C)F)c(C=C)[nH]c1=C.
What is the InChIKey of (4Z)-2-ethenyl-3-[(E)-2-fluoroprop-1-enyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole?
The InChIKey is ZGPNWBQDFDGWLP-UZROFBHHSA-N. The full InChI is InChI=1S/C15H16FN/c1-5-7-8-9-13-12(4)17-15(6-2)14(13)10-11(3)16/h5-10,17H,1-2,4H2,3H3/b8-7-,11-10+,13-9+.
What are the key properties of (4Z)-2-ethenyl-3-[(E)-2-fluoroprop-1-enyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole?
(4Z)-2-ethenyl-3-[(E)-2-fluoroprop-1-enyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole has a molecular weight of 229.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-ethenyl-3-[(E)-2-fluoroprop-1-enyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole is sourced from PubChem (CID 134351249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).