(2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-2-enylidene)hexa-3,5-dienamide

C14H15FN2O3 — CID 166077919

IUPAC(2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-2-enylidene)hexa-3,5-dienamide
SMILESC=CC=C/C(=C\C(=C)F)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C14H15FN2O3/c1-3-4-5-10(8-9(2)15)13(19)16-11-6-7-12(18)17-14(11)20/h3-5,8,11H,1-2,6-7H2,(H,16,19)(H,17,18,20)/b5-4?,10-8+
InChIKeyOQWPMNUXYWRMJT-NRQNFYSXSA-N
MW278.28 g/mol
LogP1.06
Rot. Bonds5

About (2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-2-enylidene)hexa-3,5-dienamide

(2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-2-enylidene)hexa-3,5-dienamide (PubChem CID 166077919) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is (2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-2-enylidene)hexa-3,5-dienamide.

Molecular Properties

Compound Name(2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-2-enylidene)hexa-3,5-dienamide
PubChem CID166077919
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name(2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-2-enylidene)hexa-3,5-dienamide
SMILESC=CC=C/C(=C\C(=C)F)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C14H15FN2O3/c1-3-4-5-10(8-9(2)15)13(19)16-11-6-7-12(18)17-14(11)20/h3-5,8,11H,1-2,6-7H2,(H,16,19)(H,17,18,20)/b5-4?,10-8+
InChIKeyOQWPMNUXYWRMJT-NRQNFYSXSA-N
XLogP1.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-2-enylidene)hexa-3,5-dienamide?
The IUPAC name of (2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-2-enylidene)hexa-3,5-dienamide (CID 166077919) is (2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-2-enylidene)hexa-3,5-dienamide.
What is the SMILES notation for (2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-2-enylidene)hexa-3,5-dienamide?
The canonical SMILES for (2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-2-enylidene)hexa-3,5-dienamide is C=CC=C/C(=C\C(=C)F)C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of (2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-2-enylidene)hexa-3,5-dienamide?
The InChIKey is OQWPMNUXYWRMJT-NRQNFYSXSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-3-4-5-10(8-9(2)15)13(19)16-11-6-7-12(18)17-14(11)20/h3-5,8,11H,1-2,6-7H2,(H,16,19)(H,17,18,20)/b5-4?,10-8+.
What are the key properties of (2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-2-enylidene)hexa-3,5-dienamide?
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-2-enylidene)hexa-3,5-dienamide has a molecular weight of 278.28 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-2-enylidene)hexa-3,5-dienamide is sourced from PubChem (CID 166077919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).