3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione

C15H17FN2O3 — CID 142305955

IUPAC3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
SMILESC=C(F)C1=C(/C(C)=C\C)CN(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C15H17FN2O3/c1-4-8(2)10-7-18(15(21)13(10)9(3)16)11-5-6-12(19)17-14(11)20/h4,11H,3,5-7H2,1-2H3,(H,17,19,20)/b8-4-
InChIKeyFEYYXGMMCMSDRV-YWEYNIOJSA-N
MW292.31 g/mol
LogP1.38
Rot. Bonds3

About 3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione

3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione (PubChem CID 142305955) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
PubChem CID142305955
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
SMILESC=C(F)C1=C(/C(C)=C\C)CN(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C15H17FN2O3/c1-4-8(2)10-7-18(15(21)13(10)9(3)16)11-5-6-12(19)17-14(11)20/h4,11H,3,5-7H2,1-2H3,(H,17,19,20)/b8-4-
InChIKeyFEYYXGMMCMSDRV-YWEYNIOJSA-N
XLogP1.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.38
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-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione (CID 142305955) is 3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione is C=C(F)C1=C(/C(C)=C\C)CN(C2CCC(=O)NC2=O)C1=O.
What is the InChIKey of 3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione?
The InChIKey is FEYYXGMMCMSDRV-YWEYNIOJSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-4-8(2)10-7-18(15(21)13(10)9(3)16)11-5-6-12(19)17-14(11)20/h4,11H,3,5-7H2,1-2H3,(H,17,19,20)/b8-4-.
What are the key properties of 3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione?
3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione has a molecular weight of 292.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 142305955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).