Basic information
- CAS
112483-22-4- Standard SMILES
CC1CCC(=O)N1CC#CCN1CCC1.O=C(O)C(=O)O- InChIKey
MFSZWUDKCKSQTK-UHFFFAOYSA-N- Molecular formula
- C14H20N2O5
- Average molar mass
- 296.32 g/mol
- Monoisotopic mass
- 296.13722174
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 1-(4-(1-azetidinyl)-2-butynyl)-5-methyl-, ethanedioate (1:1)
- IUPAC
- 1-[4-(azetidin-1-yl)but-2-ynyl]-5-methylpyrrolidin-2-one;oxalic acid
Names & synonyms
1-(4-(1-Azetidinyl)-2-butynyl)-5-methyl-2-pyrrolidinone ethanedioateN-(4-Azetidinyl-2-butynyl)-5-methyl-2-pyrrolidone oxalate112483-22-42-Pyrrolidinone, 1-(4-(1-azetidinyl)-2-butynyl)-5-methyl-, ethanedioate (1:1)RefChem:266845DTXSID90920804Oxalic acid--1-[4-(azetidin-1-yl)but-2-yn-1-yl]-5-methylpyrrolidin-2-one (1/1)
Database identifiers
- CAS
112483-22-4- PubChem CID
- 3086901
- DTXSID
DTXSID90920804
Properties
Computed structural properties
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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