Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)-
Basic information
- CAS
3921-97-9- Standard SMILES
O=C1c2ccccc2C(=O)N1CC#CCN1CCCC1- InChIKey
FLZKUBUNEBRGJS-UHFFFAOYSA-N- Molecular formula
- C16H16N2O2
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.12117776
Names & identifiers
- Preferred name
- Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)-
- IUPAC
- 2-(4-pyrrolidin-1-ylbut-2-ynyl)isoindole-1,3-dione
- English name
- N-[4-(1-Pyrrolidinyl)-2-butynyl]phthalimide
- Molecular formula
- C16H16N2O2
- Molecular weight
- 268.31
Names & synonyms
BRN 1538967Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)-3921-97-9N-(4-Pyrrolidin-1'-ylbut-2-ynyl)phthalimideDTXSID701924665-21-11-00026 (Beilstein Handbook Reference)RefChem:371584DTXCID80114957SCHEMBL117202982-[4-(Pyrrolidin-1-yl)but-2-yn-1-yl]-1H-isoindole-1,3(2H)-dioneN-[4-(1-Pyrrolidinyl)-2-butynyl]phthalimideN-(4-(pyrrolidino-1-yl)but-2-yn-1-yl)isoindoline-1,3-dione
Show more names
1H-Isoindole-1,3(2H)-dione, 2-[4-(1-pyrrolidinyl)-2-butyn-1-yl]-
Database identifiers
- CAS
3921-97-9- PubChem CID
- 199269
- DTXSID
DTXSID70192466- Nikkaji
- J107.164E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Melting point
- 113 · 113-115 °C
- Boiling point
- 418.8 · 418.8±30.0 °C(Predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- pka
- 8.18 · 8.18±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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