2,5-Dioxopyrrolidin-1-yl 4-nitrobenzoate
PubChem CID
2180606
Structure
Molecular Formula
Synonyms
- 30364-58-0
- 2,5-Dioxopyrrolidin-1-yl 4-nitrobenzoate
- 2,5-Pyrrolidinedione, 1-[(4-nitrobenzoyl)oxy]-
- N-[4-(p-Nitrobenzoyl)oxy]succininide
- (2,5-dioxopyrrolidin-1-yl) 4-nitrobenzoate
Molecular Weight
264.19 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-07-15
- Modify:2024-12-07
Chemical Structure Depiction
(2,5-dioxopyrrolidin-1-yl) 4-nitrobenzoate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C11H8N2O6/c14-9-5-6-10(15)12(9)19-11(16)7-1-3-8(4-2-7)13(17)18/h1-4H,5-6H2
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
NACXFYUMWSYYRU-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1CC(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C11H8N2O6
Computed by PubChem 2.2 (PubChem release 2021.10.14)
30364-58-0
- 30364-58-0
- 2,5-Dioxopyrrolidin-1-yl 4-nitrobenzoate
- 2,5-Pyrrolidinedione, 1-[(4-nitrobenzoyl)oxy]-
- N-[4-(p-Nitrobenzoyl)oxy]succininide
- (2,5-dioxopyrrolidin-1-yl) 4-nitrobenzoate
- Oprea1_351094
- SCHEMBL3735204
- DTXSID30366868
- STK323946
- AKOS000497418
- 2,5-Dioxopyrrolidin-1-yl4-nitrobenzoate
- BS-42517
- CS-0320489
- SR-01000203015
- SR-01000203015-1
- 1-{[(4-nitrophenyl)carbonyl]oxy}pyrrolidine-2,5-dione
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
264.19 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
0.7
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
264.03823598 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
264.03823598 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
110Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
19
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
405
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
NIST Number
313302
Library
Main library
Total Peaks
35
m/z Top Peak
150
m/z 2nd Highest
104
m/z 3rd Highest
76
Thumbnail
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Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
- EPA DSSTox2,5-Pyrrolidinedione, 1-[(4-nitrobenzoyl)oxy]-https://comptox.epa.gov/dashboard/DTXSID30366868
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawN-[4-(p-Nitrobenzoyl)oxy]succininidehttp://www.nist.gov/srd/nist1a.cfm
- Wikidata2,5-Pyrrolidinedione, 1-[(4-nitrobenzoyl)oxy]-https://www.wikidata.org/wiki/Q82152318
- PubChem
CONTENTS