(E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-1-enyl)pent-2-enamide

C13H17FN2O3 — CID 166077343

IUPAC(E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-1-enyl)pent-2-enamide
SMILESCC/C=C(\C=C(C)F)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C13H17FN2O3/c1-3-4-9(7-8(2)14)12(18)15-10-5-6-11(17)16-13(10)19/h4,7,10H,3,5-6H2,1-2H3,(H,15,18)(H,16,17,19)/b8-7?,9-4+
InChIKeyZQQBQTGTFPARCS-RUSQRLDKSA-N
MW268.29 g/mol
LogP1.12
Rot. Bonds4

About (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-1-enyl)pent-2-enamide

(E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-1-enyl)pent-2-enamide (PubChem CID 166077343) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-1-enyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-1-enyl)pent-2-enamide
PubChem CID166077343
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name(E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-1-enyl)pent-2-enamide
SMILESCC/C=C(\C=C(C)F)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C13H17FN2O3/c1-3-4-9(7-8(2)14)12(18)15-10-5-6-11(17)16-13(10)19/h4,7,10H,3,5-6H2,1-2H3,(H,15,18)(H,16,17,19)/b8-7?,9-4+
InChIKeyZQQBQTGTFPARCS-RUSQRLDKSA-N
XLogP1.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.12
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 (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-1-enyl)pent-2-enamide?
The IUPAC name of (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-1-enyl)pent-2-enamide (CID 166077343) is (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-1-enyl)pent-2-enamide.
What is the SMILES notation for (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-1-enyl)pent-2-enamide?
The canonical SMILES for (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-1-enyl)pent-2-enamide is CC/C=C(\C=C(C)F)C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-1-enyl)pent-2-enamide?
The InChIKey is ZQQBQTGTFPARCS-RUSQRLDKSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-3-4-9(7-8(2)14)12(18)15-10-5-6-11(17)16-13(10)19/h4,7,10H,3,5-6H2,1-2H3,(H,15,18)(H,16,17,19)/b8-7?,9-4+.
What are the key properties of (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-1-enyl)pent-2-enamide?
(E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-1-enyl)pent-2-enamide has a molecular weight of 268.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-1-enyl)pent-2-enamide is sourced from PubChem (CID 166077343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).