Basic information
- CAS
14074-90-9- Standard SMILES
O=C(O)/C=C/C(=O)O.O=C1c2ccccc2CN1CC#CCN1CCCC1- InChIKey
JTJNIRSCSXLSIC-WLHGVMLRSA-N- Molecular formula
- C20H22N2O5
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.15287181
Names & identifiers
- Preferred name
- Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;2-(4-pyrrolidin-1-ylbut-2-ynyl)-3H-isoindol-1-one
Names & synonyms
Phthalimidine, 2-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (1:1)14074-90-9RefChem:10955642-(4-(1-Pyrrolidinyl)-2-butynyl)phthalimidine fumarate
Database identifiers
- CAS
14074-90-9- PubChem CID
- 6444643
Properties
Computed structural properties
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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