3-[3-[(E)-1-fluorobut-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione

C14H15FN2O4 — CID 170978789

IUPAC3-[3-[(E)-1-fluorobut-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
SMILESCC/C=C(/F)C1=C(C)C(=O)N(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C14H15FN2O4/c1-3-4-8(15)11-7(2)13(20)17(14(11)21)9-5-6-10(18)16-12(9)19/h4,9H,3,5-6H2,1-2H3,(H,16,18,19)/b8-4+
InChIKeyFDNBKCGCTRJEFI-XBXARRHUSA-N
MW294.28 g/mol
LogP0.74
Rot. Bonds3

About 3-[3-[(E)-1-fluorobut-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione

3-[3-[(E)-1-fluorobut-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione (PubChem CID 170978789) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 3-[3-[(E)-1-fluorobut-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[(E)-1-fluorobut-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
PubChem CID170978789
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name3-[3-[(E)-1-fluorobut-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
SMILESCC/C=C(/F)C1=C(C)C(=O)N(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C14H15FN2O4/c1-3-4-8(15)11-7(2)13(20)17(14(11)21)9-5-6-10(18)16-12(9)19/h4,9H,3,5-6H2,1-2H3,(H,16,18,19)/b8-4+
InChIKeyFDNBKCGCTRJEFI-XBXARRHUSA-N
XLogP0.74
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-[(E)-1-fluorobut-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-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-[(E)-1-fluorobut-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-[(E)-1-fluorobut-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione (CID 170978789) is 3-[3-[(E)-1-fluorobut-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[(E)-1-fluorobut-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[(E)-1-fluorobut-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione is CC/C=C(/F)C1=C(C)C(=O)N(C2CCC(=O)NC2=O)C1=O.
What is the InChIKey of 3-[3-[(E)-1-fluorobut-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The InChIKey is FDNBKCGCTRJEFI-XBXARRHUSA-N. The full InChI is InChI=1S/C14H15FN2O4/c1-3-4-8(15)11-7(2)13(20)17(14(11)21)9-5-6-10(18)16-12(9)19/h4,9H,3,5-6H2,1-2H3,(H,16,18,19)/b8-4+.
What are the key properties of 3-[3-[(E)-1-fluorobut-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
3-[3-[(E)-1-fluorobut-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione has a molecular weight of 294.28 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(E)-1-fluorobut-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 170978789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).