(E)-N-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]pent-2-enamide

C13H18FNO — CID 142385504

IUPAC(E)-N-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]pent-2-enamide
SMILESC=C/C(=C\C=C(/C)F)CNC(=O)/C=C/CC
InChIInChI=1S/C13H18FNO/c1-4-6-7-13(16)15-10-12(5-2)9-8-11(3)14/h5-9H,2,4,10H2,1,3H3,(H,15,16)/b7-6+,11-8+,12-9+
InChIKeyHBYWEWITPFKHLD-XQYGDOFQSA-N
MW223.29 g/mol
LogP3.05
Rot. Bonds6

About (E)-N-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]pent-2-enamide

(E)-N-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]pent-2-enamide (PubChem CID 142385504) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (E)-N-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]pent-2-enamide
PubChem CID142385504
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(E)-N-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]pent-2-enamide
SMILESC=C/C(=C\C=C(/C)F)CNC(=O)/C=C/CC
InChIInChI=1S/C13H18FNO/c1-4-6-7-13(16)15-10-12(5-2)9-8-11(3)14/h5-9H,2,4,10H2,1,3H3,(H,15,16)/b7-6+,11-8+,12-9+
InChIKeyHBYWEWITPFKHLD-XQYGDOFQSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]pent-2-enamide?
The IUPAC name of (E)-N-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]pent-2-enamide (CID 142385504) is (E)-N-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]pent-2-enamide.
What is the SMILES notation for (E)-N-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]pent-2-enamide?
The canonical SMILES for (E)-N-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]pent-2-enamide is C=C/C(=C\C=C(/C)F)CNC(=O)/C=C/CC.
What is the InChIKey of (E)-N-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]pent-2-enamide?
The InChIKey is HBYWEWITPFKHLD-XQYGDOFQSA-N. The full InChI is InChI=1S/C13H18FNO/c1-4-6-7-13(16)15-10-12(5-2)9-8-11(3)14/h5-9H,2,4,10H2,1,3H3,(H,15,16)/b7-6+,11-8+,12-9+.
What are the key properties of (E)-N-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]pent-2-enamide?
(E)-N-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]pent-2-enamide has a molecular weight of 223.29 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]pent-2-enamide is sourced from PubChem (CID 142385504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).