3-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione

C13H11FN2O4 — CID 155751620

IUPAC3-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
SMILESC=C/C(F)=C1\C(=C)C(=O)N(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C13H11FN2O4/c1-3-7(14)10-6(2)12(19)16(13(10)20)8-4-5-9(17)15-11(8)18/h3,8H,1-2,4-5H2,(H,15,17,18)/b10-7-
InChIKeyGDULPDARDBSTLX-YFHOEESVSA-N
MW278.24 g/mol
LogP0.13
Rot. Bonds2

About 3-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione

3-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione (PubChem CID 155751620) has the molecular formula C13H11FN2O4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 3-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
PubChem CID155751620
Molecular FormulaC13H11FN2O4
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Name3-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
SMILESC=C/C(F)=C1\C(=C)C(=O)N(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C13H11FN2O4/c1-3-7(14)10-6(2)12(19)16(13(10)20)8-4-5-9(17)15-11(8)18/h3,8H,1-2,4-5H2,(H,15,17,18)/b10-7-
InChIKeyGDULPDARDBSTLX-YFHOEESVSA-N
XLogP0.13
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione (CID 155751620) is 3-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione is C=C/C(F)=C1\C(=C)C(=O)N(C2CCC(=O)NC2=O)C1=O.
What is the InChIKey of 3-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione?
The InChIKey is GDULPDARDBSTLX-YFHOEESVSA-N. The full InChI is InChI=1S/C13H11FN2O4/c1-3-7(14)10-6(2)12(19)16(13(10)20)8-4-5-9(17)15-11(8)18/h3,8H,1-2,4-5H2,(H,15,17,18)/b10-7-.
What are the key properties of 3-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione?
3-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione has a molecular weight of 278.24 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 155751620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).