Basic information
- CAS
4322-43-4- Standard SMILES
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1[N+](=O)[O-].O=C1CCCN1CC#CCN1CCCC1- InChIKey
ZHBNDZLHKKGYAC-UHFFFAOYSA-N- Molecular formula
- C22H26N6O6
- Average molar mass
- 470.5 g/mol
- Monoisotopic mass
- 470.19138257
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, picrolonate
- IUPAC
- 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one;1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
Names & synonyms
Oxotremorine picrolonate4322-43-42-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, picrolonateRefChem:266846DTXSID709629695-Methyl-4-nitro-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one--1-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]pyrrolidin-2-one (1/1)
Database identifiers
- CAS
4322-43-4- PubChem CID
- 199513
- DTXSID
DTXSID70962969
Properties
Computed structural properties
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 737
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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