Basic information
- CAS
330865-91-3- Standard SMILES
O=CN1CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1- InChIKey
WMVUAJDVQZANHV-UHFFFAOYSA-N- Molecular formula
- C15H16FN3O3
- Average molar mass
- 305.3 g/mol
Names & identifiers
- Preferred name
- 4-[1-(4-Fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazinecarbaldehyde
- IUPAC
- 4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carbaldehyde
- English name
- 4-[1-(4-Fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazinecarbaldehyde
- Molecular formula
- C15H16FN3O3
- Molecular weight
- 305.3
Names & synonyms
330865-91-34-[1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazinecarbaldehyde4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carbaldehyde4-(1-(4-Fluorophenyl)-2,5-dioxopyrrolidin-3-yl)piperazine-1-carbaldehydeCambridge id 5933190STL356589AKOS000586913AKOS022138180EU-0070983AB00101294-01AG-690/40719513SR-01000428710
Show more names
1-Piperazinecarboxaldehyde, 4-[1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-
SR-01000428710-1
Database identifiers
- CAS
330865-91-3
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Boiling point
- 585.7 · 585.7±50.0 °C(Predicted)
- Density
- 1.453 · 1.453±0.06 g/cm3(Predicted)
- pka
- 4.12 · 4.12±0.70(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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