(4Z)-3-[(1Z)-buta-1,3-dienyl]-4-[(2E)-3-fluoropenta-2,4-dienylidene]-2-methyl-5-methylidene-1H-pyrrole

C15H16FN — CID 155048909

IUPAC(4Z)-3-[(1Z)-buta-1,3-dienyl]-4-[(2E)-3-fluoropenta-2,4-dienylidene]-2-methyl-5-methylidene-1H-pyrrole
SMILESC=C/C=C\c1c(C)[nH]c(=C)/c1=C\C=C(\F)C=C
InChIInChI=1S/C15H16FN/c1-5-7-8-14-11(3)17-12(4)15(14)10-9-13(16)6-2/h5-10,17H,1-2,4H2,3H3/b8-7-,13-9+,15-10+
InChIKeyKUPBOBKRMDALLK-PHMCPKJTSA-N
MW229.30 g/mol
LogP2.75
Rot. Bonds4

About (4Z)-3-[(1Z)-buta-1,3-dienyl]-4-[(2E)-3-fluoropenta-2,4-dienylidene]-2-methyl-5-methylidene-1H-pyrrole

(4Z)-3-[(1Z)-buta-1,3-dienyl]-4-[(2E)-3-fluoropenta-2,4-dienylidene]-2-methyl-5-methylidene-1H-pyrrole (PubChem CID 155048909) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is (4Z)-3-[(1Z)-buta-1,3-dienyl]-4-[(2E)-3-fluoropenta-2,4-dienylidene]-2-methyl-5-methylidene-1H-pyrrole.

Molecular Properties

Compound Name(4Z)-3-[(1Z)-buta-1,3-dienyl]-4-[(2E)-3-fluoropenta-2,4-dienylidene]-2-methyl-5-methylidene-1H-pyrrole
PubChem CID155048909
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name(4Z)-3-[(1Z)-buta-1,3-dienyl]-4-[(2E)-3-fluoropenta-2,4-dienylidene]-2-methyl-5-methylidene-1H-pyrrole
SMILESC=C/C=C\c1c(C)[nH]c(=C)/c1=C\C=C(\F)C=C
InChIInChI=1S/C15H16FN/c1-5-7-8-14-11(3)17-12(4)15(14)10-9-13(16)6-2/h5-10,17H,1-2,4H2,3H3/b8-7-,13-9+,15-10+
InChIKeyKUPBOBKRMDALLK-PHMCPKJTSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4Z)-3-[(1Z)-buta-1,3-dienyl]-4-[(2E)-3-fluoropenta-2,4-dienylidene]-2-methyl-5-methylidene-1H-pyrrole with MolForge

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Related Compounds

5-fluoro-2-methyl-5,6-dihydro-1H-indole
CID 123506170
(4Z)-2-ethenyl-3-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole
CID 126698373
(4Z)-2-ethenyl-3-[(1E)-2-fluorobuta-1,3-dienyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole
CID 129070291
(4Z)-3-[(1Z)-3-fluorobuta-1,3-dienyl]-2-methyl-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole
CID 130452057
(4Z)-3-[(1E)-2-fluorobuta-1,3-dienyl]-2-methyl-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole
CID 132093844
(3Z)-3-ethenyl-5-fluoro-6-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]hepta-1,3,5-trien-2-amine
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CID 134302585
(4Z)-2-ethenyl-3-[(E)-2-fluoroprop-1-enyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole
CID 134351249
(4Z)-2-[(Z)-but-1-enyl]-3-ethenyl-4-(fluoromethylidene)-5-methylidene-1H-pyrrole
CID 134462285
N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine
CID 134466184
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CID 135278163

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-[(1Z)-buta-1,3-dienyl]-4-[(2E)-3-fluoropenta-2,4-dienylidene]-2-methyl-5-methylidene-1H-pyrrole?
The IUPAC name of (4Z)-3-[(1Z)-buta-1,3-dienyl]-4-[(2E)-3-fluoropenta-2,4-dienylidene]-2-methyl-5-methylidene-1H-pyrrole (CID 155048909) is (4Z)-3-[(1Z)-buta-1,3-dienyl]-4-[(2E)-3-fluoropenta-2,4-dienylidene]-2-methyl-5-methylidene-1H-pyrrole.
What is the SMILES notation for (4Z)-3-[(1Z)-buta-1,3-dienyl]-4-[(2E)-3-fluoropenta-2,4-dienylidene]-2-methyl-5-methylidene-1H-pyrrole?
The canonical SMILES for (4Z)-3-[(1Z)-buta-1,3-dienyl]-4-[(2E)-3-fluoropenta-2,4-dienylidene]-2-methyl-5-methylidene-1H-pyrrole is C=C/C=C\c1c(C)[nH]c(=C)/c1=C\C=C(\F)C=C.
What is the InChIKey of (4Z)-3-[(1Z)-buta-1,3-dienyl]-4-[(2E)-3-fluoropenta-2,4-dienylidene]-2-methyl-5-methylidene-1H-pyrrole?
The InChIKey is KUPBOBKRMDALLK-PHMCPKJTSA-N. The full InChI is InChI=1S/C15H16FN/c1-5-7-8-14-11(3)17-12(4)15(14)10-9-13(16)6-2/h5-10,17H,1-2,4H2,3H3/b8-7-,13-9+,15-10+.
What are the key properties of (4Z)-3-[(1Z)-buta-1,3-dienyl]-4-[(2E)-3-fluoropenta-2,4-dienylidene]-2-methyl-5-methylidene-1H-pyrrole?
(4Z)-3-[(1Z)-buta-1,3-dienyl]-4-[(2E)-3-fluoropenta-2,4-dienylidene]-2-methyl-5-methylidene-1H-pyrrole has a molecular weight of 229.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-[(1Z)-buta-1,3-dienyl]-4-[(2E)-3-fluoropenta-2,4-dienylidene]-2-methyl-5-methylidene-1H-pyrrole is sourced from PubChem (CID 155048909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).