(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-fluorobut-2-enamide

C11H13FN2O3 — CID 177039491

IUPAC(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-fluorobut-2-enamide
SMILESC=C/C(C(=O)NC1CCC(=O)NC1=O)=C(\C)F
InChIInChI=1S/C11H13FN2O3/c1-3-7(6(2)12)10(16)13-8-4-5-9(15)14-11(8)17/h3,8H,1,4-5H2,2H3,(H,13,16)(H,14,15,17)/b7-6-
InChIKeyOUSVDILKIFXRFR-SREVYHEPSA-N
MW240.23 g/mol
LogP0.34
Rot. Bonds3

About (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-fluorobut-2-enamide

(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-fluorobut-2-enamide (PubChem CID 177039491) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-fluorobut-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-fluorobut-2-enamide
PubChem CID177039491
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-fluorobut-2-enamide
SMILESC=C/C(C(=O)NC1CCC(=O)NC1=O)=C(\C)F
InChIInChI=1S/C11H13FN2O3/c1-3-7(6(2)12)10(16)13-8-4-5-9(15)14-11(8)17/h3,8H,1,4-5H2,2H3,(H,13,16)(H,14,15,17)/b7-6-
InChIKeyOUSVDILKIFXRFR-SREVYHEPSA-N
XLogP0.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.34
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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Related Compounds

7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide
CID 123266509
(3R)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide
CID 134581707
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione
CID 134581938
3-(4-ethenyl-5-oxo-3-prop-1-en-2-yl-2H-pyrrol-1-yl)-3-fluoropiperidine-2,6-dione
CID 142305948
3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 142305955
3-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione
CID 142616400
3-[3-Ethenyl-4-(1-fluoroethenyl)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 142616667
3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione
CID 145382042
3-[[(2Z)-2-(fluoromethylidene)butyl]amino]piperidine-2,6-dione
CID 147501193
2-(2,6-Dioxopiperidin-3-yl)-7-fluoro-4,5-dihydroisoindole-1,3-dione
CID 147507530
N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide
CID 155036890
3-[(3E,4E)-3-ethylidene-4-(2-fluoroprop-2-enylidene)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 155357898

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-fluorobut-2-enamide?
The IUPAC name of (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-fluorobut-2-enamide (CID 177039491) is (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-fluorobut-2-enamide.
What is the SMILES notation for (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-fluorobut-2-enamide?
The canonical SMILES for (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-fluorobut-2-enamide is C=C/C(C(=O)NC1CCC(=O)NC1=O)=C(\C)F.
What is the InChIKey of (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-fluorobut-2-enamide?
The InChIKey is OUSVDILKIFXRFR-SREVYHEPSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-3-7(6(2)12)10(16)13-8-4-5-9(15)14-11(8)17/h3,8H,1,4-5H2,2H3,(H,13,16)(H,14,15,17)/b7-6-.
What are the key properties of (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-fluorobut-2-enamide?
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-fluorobut-2-enamide has a molecular weight of 240.23 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-fluorobut-2-enamide is sourced from PubChem (CID 177039491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).