3-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione

C15H15FN2O3 — CID 177044326

IUPAC3-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
SMILESC=CC1=C(/C(F)=C\C)C(=O)N(C2CCC(=C)NC2=O)C1=O
InChIInChI=1S/C15H15FN2O3/c1-4-9-12(10(16)5-2)15(21)18(14(9)20)11-7-6-8(3)17-13(11)19/h4-5,11H,1,3,6-7H2,2H3,(H,17,19)/b10-5+
InChIKeyMYBWRDIXKROPEV-BJMVGYQFSA-N
MW290.29 g/mol
LogP1.50
Rot. Bonds3

About 3-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione

3-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione (PubChem CID 177044326) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
PubChem CID177044326
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
SMILESC=CC1=C(/C(F)=C\C)C(=O)N(C2CCC(=C)NC2=O)C1=O
InChIInChI=1S/C15H15FN2O3/c1-4-9-12(10(16)5-2)15(21)18(14(9)20)11-7-6-8(3)17-13(11)19/h4-5,11H,1,3,6-7H2,2H3,(H,17,19)/b10-5+
InChIKeyMYBWRDIXKROPEV-BJMVGYQFSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione (CID 177044326) is 3-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione is C=CC1=C(/C(F)=C\C)C(=O)N(C2CCC(=C)NC2=O)C1=O.
What is the InChIKey of 3-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione?
The InChIKey is MYBWRDIXKROPEV-BJMVGYQFSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-4-9-12(10(16)5-2)15(21)18(14(9)20)11-7-6-8(3)17-13(11)19/h4-5,11H,1,3,6-7H2,2H3,(H,17,19)/b10-5+.
What are the key properties of 3-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione?
3-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione has a molecular weight of 290.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 177044326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).