N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide

C9H12FNO — CID 143680491

IUPACN-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide
SMILESC=C/C=C(/CNC(C)=O)C(=C)F
InChIInChI=1S/C9H12FNO/c1-4-5-9(7(2)10)6-11-8(3)12/h4-5H,1-2,6H2,3H3,(H,11,12)/b9-5-
InChIKeyHLTHTCVWZPFGMG-UITAMQMPSA-N
MW169.20 g/mol
LogP1.72
Rot. Bonds4

About N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide

N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide (PubChem CID 143680491) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide.

Molecular Properties

Compound NameN-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide
PubChem CID143680491
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC NameN-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide
SMILESC=C/C=C(/CNC(C)=O)C(=C)F
InChIInChI=1S/C9H12FNO/c1-4-5-9(7(2)10)6-11-8(3)12/h4-5H,1-2,6H2,3H3,(H,11,12)/b9-5-
InChIKeyHLTHTCVWZPFGMG-UITAMQMPSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide?
The IUPAC name of N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide (CID 143680491) is N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide.
What is the SMILES notation for N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide?
The canonical SMILES for N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide is C=C/C=C(/CNC(C)=O)C(=C)F.
What is the InChIKey of N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide?
The InChIKey is HLTHTCVWZPFGMG-UITAMQMPSA-N. The full InChI is InChI=1S/C9H12FNO/c1-4-5-9(7(2)10)6-11-8(3)12/h4-5H,1-2,6H2,3H3,(H,11,12)/b9-5-.
What are the key properties of N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide?
N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide has a molecular weight of 169.20 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide is sourced from PubChem (CID 143680491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).