(2E)-N-[(E)-but-1-enyl]-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienamide

C12H16FNO — CID 143034362

IUPAC(2E)-N-[(E)-but-1-enyl]-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienamide
SMILESC=C/C=C(\C=C/CF)C(=O)N/C=C/CC
InChIInChI=1S/C12H16FNO/c1-3-5-10-14-12(15)11(7-4-2)8-6-9-13/h4-8,10H,2-3,9H2,1H3,(H,14,15)/b8-6-,10-5+,11-7+
InChIKeyLGBSUBHOKJMVSL-XRLLYFIXSA-N
MW209.26 g/mol
LogP2.66
Rot. Bonds6

About (2E)-N-[(E)-but-1-enyl]-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienamide

(2E)-N-[(E)-but-1-enyl]-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienamide (PubChem CID 143034362) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (2E)-N-[(E)-but-1-enyl]-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-[(E)-but-1-enyl]-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienamide
PubChem CID143034362
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(2E)-N-[(E)-but-1-enyl]-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienamide
SMILESC=C/C=C(\C=C/CF)C(=O)N/C=C/CC
InChIInChI=1S/C12H16FNO/c1-3-5-10-14-12(15)11(7-4-2)8-6-9-13/h4-8,10H,2-3,9H2,1H3,(H,14,15)/b8-6-,10-5+,11-7+
InChIKeyLGBSUBHOKJMVSL-XRLLYFIXSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.66
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 (2E)-N-[(E)-but-1-enyl]-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienamide?
The IUPAC name of (2E)-N-[(E)-but-1-enyl]-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienamide (CID 143034362) is (2E)-N-[(E)-but-1-enyl]-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-N-[(E)-but-1-enyl]-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienamide?
The canonical SMILES for (2E)-N-[(E)-but-1-enyl]-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienamide is C=C/C=C(\C=C/CF)C(=O)N/C=C/CC.
What is the InChIKey of (2E)-N-[(E)-but-1-enyl]-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienamide?
The InChIKey is LGBSUBHOKJMVSL-XRLLYFIXSA-N. The full InChI is InChI=1S/C12H16FNO/c1-3-5-10-14-12(15)11(7-4-2)8-6-9-13/h4-8,10H,2-3,9H2,1H3,(H,14,15)/b8-6-,10-5+,11-7+.
What are the key properties of (2E)-N-[(E)-but-1-enyl]-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienamide?
(2E)-N-[(E)-but-1-enyl]-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienamide has a molecular weight of 209.26 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(E)-but-1-enyl]-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienamide is sourced from PubChem (CID 143034362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).