(2E)-N-cyclohex-2-en-1-yl-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

C14H18FNO — CID 144683892

IUPAC(2E)-N-cyclohex-2-en-1-yl-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=C(F)/C=C(\C=C/C)C(=O)NC1C=CCCC1
InChIInChI=1S/C14H18FNO/c1-3-7-12(10-11(2)15)14(17)16-13-8-5-4-6-9-13/h3,5,7-8,10,13H,2,4,6,9H2,1H3,(H,16,17)/b7-3-,12-10+
InChIKeyLMVJGDUWUYLDPU-DTFKZNEQSA-N
MW235.30 g/mol
LogP3.20
Rot. Bonds4

About (2E)-N-cyclohex-2-en-1-yl-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

(2E)-N-cyclohex-2-en-1-yl-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (PubChem CID 144683892) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (2E)-N-cyclohex-2-en-1-yl-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-cyclohex-2-en-1-yl-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
PubChem CID144683892
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(2E)-N-cyclohex-2-en-1-yl-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=C(F)/C=C(\C=C/C)C(=O)NC1C=CCCC1
InChIInChI=1S/C14H18FNO/c1-3-7-12(10-11(2)15)14(17)16-13-8-5-4-6-9-13/h3,5,7-8,10,13H,2,4,6,9H2,1H3,(H,16,17)/b7-3-,12-10+
InChIKeyLMVJGDUWUYLDPU-DTFKZNEQSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-cyclohex-2-en-1-yl-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The IUPAC name of (2E)-N-cyclohex-2-en-1-yl-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (CID 144683892) is (2E)-N-cyclohex-2-en-1-yl-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-N-cyclohex-2-en-1-yl-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The canonical SMILES for (2E)-N-cyclohex-2-en-1-yl-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is C=C(F)/C=C(\C=C/C)C(=O)NC1C=CCCC1.
What is the InChIKey of (2E)-N-cyclohex-2-en-1-yl-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The InChIKey is LMVJGDUWUYLDPU-DTFKZNEQSA-N. The full InChI is InChI=1S/C14H18FNO/c1-3-7-12(10-11(2)15)14(17)16-13-8-5-4-6-9-13/h3,5,7-8,10,13H,2,4,6,9H2,1H3,(H,16,17)/b7-3-,12-10+.
What are the key properties of (2E)-N-cyclohex-2-en-1-yl-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
(2E)-N-cyclohex-2-en-1-yl-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienamide has a molecular weight of 235.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-cyclohex-2-en-1-yl-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is sourced from PubChem (CID 144683892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).