Pyrrolidine, 1-methyl-3-(2-propenyl)-3-(2-thienyl)-, ethanedioate
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Basic information
- CAS
73604-73-6- Standard SMILES
C=CCC1(c2cccs2)CCN(C)C1.O=C(O)C(=O)O- InChIKey
APZRUUZINPMLGK-UHFFFAOYSA-N- Molecular formula
- C14H19NO4S
- Average molar mass
- 297.37 g/mol
- Monoisotopic mass
- 297.10347926
Names & identifiers
- Preferred name
- Pyrrolidine, 1-methyl-3-(2-propenyl)-3-(2-thienyl)-, ethanedioate
- IUPAC
- 1-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine;oxalic acid
- English name
- Allyl-3 N-methyl (thienyl-2)-3 pyrrolidine oxalate [French]
- Molecular formula
- C14H19NO4S
- Molecular weight
- 297.36996
Names & synonyms
73604-73-6Pyrrolidine, 1-methyl-3-(2-propenyl)-3-(2-thienyl)-, ethanedioateRefChem:10976101-Methyl-3-(2-propenyl)-3-(2-thienyl)pyrrolidine ethanedioateAllyl-3 N-methyl (thienyl-2)-3 pyrrolidine oxalate [French]Allyl-3 N-methyl (thienyl-2)-3 pyrrolidine oxalateDTXSID80994392Oxalic acid--1-methyl-3-(prop-2-en-1-yl)-3-(thiophen-2-yl)pyrrolidine (1/1)
Database identifiers
- CAS
73604-73-6- PubChem CID
- 3056239
- DTXSID
DTXSID80994392
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 288
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Compound notes
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