Basic information
- CAS
6103-78-2- Standard SMILES
C[C@@H]1C[C@@H](N(C)Cc2ccccc2)C(=O)N1c1ccccc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
AWLBJSIRVOVXHY-KQKCUOLZSA-N- Molecular formula
- C25H25N5O8
- Average molar mass
- 523.5 g/mol
- Monoisotopic mass
- 523.17031277
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 3-(N-benzyl-N-methylamino)-5-methyl-1-phenyl-, picrate, (E)-
- IUPAC
- (3R,5R)-3-[benzyl(methyl)amino]-5-methyl-1-phenylpyrrolidin-2-one;2,4,6-trinitrophenol
Names & synonyms
(trans)-3-(N-Benzyl-N-methylamino)-5-methyl-1-phenyl-2-pyrrolidinone picrate6103-78-22-Pyrrolidinone, 3-(N-benzyl-N-methylamino)-5-methyl-1-phenyl-, picrate, (E)-RefChem:266889DTXSID509765293-[Benzyl(methyl)amino]-5-methyl-1-phenylpyrrolidin-2-one--2,4,6-trinitrophenol (1/1)(3R,5R)-3-[Benzyl(methyl)amino]-5-methyl-1-phenylpyrrolidin-2-one--2,4,6-trinitrophenol (1/1)
Database identifiers
- CAS
6103-78-2- PubChem CID
- 111153
- DTXSID
DTXSID50976529
Properties
Computed structural properties
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 663
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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