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

C15H17FN2O3 — CID 145382042

IUPAC3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione
SMILESC=CC1=C(/C(C)=C\C)CN(C2(F)CCC(=O)NC2=O)C1=O
InChIInChI=1S/C15H17FN2O3/c1-4-9(3)11-8-18(13(20)10(11)5-2)15(16)7-6-12(19)17-14(15)21/h4-5H,2,6-8H2,1,3H3,(H,17,19,21)/b9-4-
InChIKeyCIKOVLVLDLQYQX-WTKPLQERSA-N
MW292.31 g/mol
LogP1.38
Rot. Bonds3

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

3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione (PubChem CID 145382042) 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-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione
PubChem CID145382042
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione
SMILESC=CC1=C(/C(C)=C\C)CN(C2(F)CCC(=O)NC2=O)C1=O
InChIInChI=1S/C15H17FN2O3/c1-4-9(3)11-8-18(13(20)10(11)5-2)15(16)7-6-12(19)17-14(15)21/h4-5H,2,6-8H2,1,3H3,(H,17,19,21)/b9-4-
InChIKeyCIKOVLVLDLQYQX-WTKPLQERSA-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': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione?
The IUPAC name of 3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione (CID 145382042) is 3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione.
What is the SMILES notation for 3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione?
The canonical SMILES for 3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione is C=CC1=C(/C(C)=C\C)CN(C2(F)CCC(=O)NC2=O)C1=O.
What is the InChIKey of 3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione?
The InChIKey is CIKOVLVLDLQYQX-WTKPLQERSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-4-9(3)11-8-18(13(20)10(11)5-2)15(16)7-6-12(19)17-14(15)21/h4-5H,2,6-8H2,1,3H3,(H,17,19,21)/b9-4-.
What are the key properties of 3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione?
3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-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-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione is sourced from PubChem (CID 145382042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).