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

C15H16FN — CID 166837117

IUPAC(4Z)-3-[(1Z)-buta-1,3-dienyl]-1-fluoro-2-methyl-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole
SMILESC=C/C=C\C=c1\c(/C=C\C=C)c(C)n(F)c1=C
InChIInChI=1S/C15H16FN/c1-5-7-9-11-15-13(4)17(16)12(3)14(15)10-8-6-2/h5-11H,1-2,4H2,3H3/b9-7-,10-8-,15-11+
InChIKeyWFSQUIXQQLHHPW-CUYINTDJSA-N
MW229.30 g/mol
LogP2.66
Rot. Bonds4

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

(4Z)-3-[(1Z)-buta-1,3-dienyl]-1-fluoro-2-methyl-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole (PubChem CID 166837117) 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]-1-fluoro-2-methyl-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole.

Molecular Properties

Compound Name(4Z)-3-[(1Z)-buta-1,3-dienyl]-1-fluoro-2-methyl-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole
PubChem CID166837117
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name(4Z)-3-[(1Z)-buta-1,3-dienyl]-1-fluoro-2-methyl-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole
SMILESC=C/C=C\C=c1\c(/C=C\C=C)c(C)n(F)c1=C
InChIInChI=1S/C15H16FN/c1-5-7-9-11-15-13(4)17(16)12(3)14(15)10-8-6-2/h5-11H,1-2,4H2,3H3/b9-7-,10-8-,15-11+
InChIKeyWFSQUIXQQLHHPW-CUYINTDJSA-N
XLogP2.66
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.66
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]-1-fluoro-2-methyl-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole?
The IUPAC name of (4Z)-3-[(1Z)-buta-1,3-dienyl]-1-fluoro-2-methyl-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole (CID 166837117) is (4Z)-3-[(1Z)-buta-1,3-dienyl]-1-fluoro-2-methyl-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole.
What is the SMILES notation for (4Z)-3-[(1Z)-buta-1,3-dienyl]-1-fluoro-2-methyl-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole?
The canonical SMILES for (4Z)-3-[(1Z)-buta-1,3-dienyl]-1-fluoro-2-methyl-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole is C=C/C=C\C=c1\c(/C=C\C=C)c(C)n(F)c1=C.
What is the InChIKey of (4Z)-3-[(1Z)-buta-1,3-dienyl]-1-fluoro-2-methyl-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole?
The InChIKey is WFSQUIXQQLHHPW-CUYINTDJSA-N. The full InChI is InChI=1S/C15H16FN/c1-5-7-9-11-15-13(4)17(16)12(3)14(15)10-8-6-2/h5-11H,1-2,4H2,3H3/b9-7-,10-8-,15-11+.
What are the key properties of (4Z)-3-[(1Z)-buta-1,3-dienyl]-1-fluoro-2-methyl-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole?
(4Z)-3-[(1Z)-buta-1,3-dienyl]-1-fluoro-2-methyl-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole has a molecular weight of 229.30 g/mol, XLogP of 2.66, 4 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]-1-fluoro-2-methyl-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]pyrrole is sourced from PubChem (CID 166837117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).