2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)butyl)-, ethanedioate (1:1)
Basic information
- CAS
3921-96-8- Standard SMILES
O=C(O)C(=O)O.O=C1CCCN1CCCCN1CCCC1- InChIKey
IJOFBDNSCCBTCG-UHFFFAOYSA-N- Molecular formula
- C14H24N2O5
- Average molar mass
- 300.35 g/mol
- Monoisotopic mass
- 300.16852187
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)butyl)-, ethanedioate (1:1)
- IUPAC
- oxalic acid;1-(4-pyrrolidin-1-ylbutyl)pyrrolidin-2-one
Names & synonyms
2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)butyl)-, ethanedioate (1:1)1-(4-(1-Pyrrolidinyl)butyl)-2-pyrrolidinone ethanedioate (1:1)1-(4-Pyrrolidin-1-ylbutyl)-pyrrolid-2-one hydrogen oxalate3921-96-8DTXSID10192465RefChem:266849DTXCID20114956Oxalic acid--1-[4-(pyrrolidin-1-yl)butyl]pyrrolidin-2-one (1/1)
Database identifiers
- CAS
3921-96-8- PubChem CID
- 199267
- DTXSID
DTXSID10192465
Properties
Computed structural properties
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 283
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Compound notes
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