(4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-fluoro-4,5-bis(prop-2-enylidene)pyrrole

C16H16FN — CID 146588305

IUPAC(4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-fluoro-4,5-bis(prop-2-enylidene)pyrrole
SMILESC=C/C=C\c1c(C=C)c(=C/C=C)/c(=C\C=C)n1F
InChIInChI=1S/C16H16FN/c1-5-9-12-16-13(8-4)14(10-6-2)15(11-7-3)18(16)17/h5-12H,1-4H2/b12-9-,14-10-,15-11+
InChIKeyOMXCFRNWISBRBJ-YBQWQYEPSA-N
MW241.31 g/mol
LogP3.00
Rot. Bonds5

About (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-fluoro-4,5-bis(prop-2-enylidene)pyrrole

(4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-fluoro-4,5-bis(prop-2-enylidene)pyrrole (PubChem CID 146588305) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-fluoro-4,5-bis(prop-2-enylidene)pyrrole.

Molecular Properties

Compound Name(4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-fluoro-4,5-bis(prop-2-enylidene)pyrrole
PubChem CID146588305
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name(4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-fluoro-4,5-bis(prop-2-enylidene)pyrrole
SMILESC=C/C=C\c1c(C=C)c(=C/C=C)/c(=C\C=C)n1F
InChIInChI=1S/C16H16FN/c1-5-9-12-16-13(8-4)14(10-6-2)15(11-7-3)18(16)17/h5-12H,1-4H2/b12-9-,14-10-,15-11+
InChIKeyOMXCFRNWISBRBJ-YBQWQYEPSA-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,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-fluoro-4,5-bis(prop-2-enylidene)pyrrole?
The IUPAC name of (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-fluoro-4,5-bis(prop-2-enylidene)pyrrole (CID 146588305) is (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-fluoro-4,5-bis(prop-2-enylidene)pyrrole.
What is the SMILES notation for (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-fluoro-4,5-bis(prop-2-enylidene)pyrrole?
The canonical SMILES for (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-fluoro-4,5-bis(prop-2-enylidene)pyrrole is C=C/C=C\c1c(C=C)c(=C/C=C)/c(=C\C=C)n1F.
What is the InChIKey of (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-fluoro-4,5-bis(prop-2-enylidene)pyrrole?
The InChIKey is OMXCFRNWISBRBJ-YBQWQYEPSA-N. The full InChI is InChI=1S/C16H16FN/c1-5-9-12-16-13(8-4)14(10-6-2)15(11-7-3)18(16)17/h5-12H,1-4H2/b12-9-,14-10-,15-11+.
What are the key properties of (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-fluoro-4,5-bis(prop-2-enylidene)pyrrole?
(4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-fluoro-4,5-bis(prop-2-enylidene)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,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-fluoro-4,5-bis(prop-2-enylidene)pyrrole is sourced from PubChem (CID 146588305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).