2-(2,5-dioxopyrrol-1-yl)acetohydrazide;2,2,2-trifluoroacetic acid

C8H8F3N3O5 — CID 71749878

IUPAC2-(2,5-dioxopyrrol-1-yl)acetohydrazide;2,2,2-trifluoroacetic acid
SMILESNNC(=O)CN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H7N3O3.C2HF3O2/c7-8-4(10)3-9-5(11)1-2-6(9)12;3-2(4,5)1(6)7/h1-2H,3,7H2,(H,8,10);(H,6,7)
InChIKeyVKLHIUBGLCUQBN-UHFFFAOYSA-N
MW283.16 g/mol
LogP-1.47
Rot. Bonds2

About 2-(2,5-dioxopyrrol-1-yl)acetohydrazide;2,2,2-trifluoroacetic acid

2-(2,5-dioxopyrrol-1-yl)acetohydrazide;2,2,2-trifluoroacetic acid (PubChem CID 71749878) has the molecular formula C8H8F3N3O5 and a molecular weight of 283.16 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)acetohydrazide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)acetohydrazide;2,2,2-trifluoroacetic acid
PubChem CID71749878
Molecular FormulaC8H8F3N3O5
Molecular Weight283.16 g/mol
Exact Mass283.04
IUPAC Name2-(2,5-dioxopyrrol-1-yl)acetohydrazide;2,2,2-trifluoroacetic acid
SMILESNNC(=O)CN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H7N3O3.C2HF3O2/c7-8-4(10)3-9-5(11)1-2-6(9)12;3-2(4,5)1(6)7/h1-2H,3,7H2,(H,8,10);(H,6,7)
InChIKeyVKLHIUBGLCUQBN-UHFFFAOYSA-N
XLogP-1.47
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-Maleimidopropiohydrazide Trifluoroacetate
CID 71607324
4-Maleimidobutyric Acid Hydrazide Trifluoroacetic Acid Salt
CID 68635864
N-(2-aminoethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 124091649
BMPH (N-(beta-maleimidopropionic acid) hydrazide, trifluoroacetic acid salt)
CID 124202981
2-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid
CID 156064194
1-[2-(4-Aminopiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
CID 162309431
[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]azanium;2,2,2-trifluoroacetic acid
CID 162325367
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265081
C18H22F3N5O7
CID 156026924
C16H18F3N5O7
CID 156026926
2-[Amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid
CID 10036667
2-[carboxymethyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
CID 63651110

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)acetohydrazide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)acetohydrazide;2,2,2-trifluoroacetic acid (CID 71749878) is 2-(2,5-dioxopyrrol-1-yl)acetohydrazide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)acetohydrazide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)acetohydrazide;2,2,2-trifluoroacetic acid is NNC(=O)CN1C(=O)C=CC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)acetohydrazide;2,2,2-trifluoroacetic acid?
The InChIKey is VKLHIUBGLCUQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3.C2HF3O2/c7-8-4(10)3-9-5(11)1-2-6(9)12;3-2(4,5)1(6)7/h1-2H,3,7H2,(H,8,10);(H,6,7).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)acetohydrazide;2,2,2-trifluoroacetic acid?
2-(2,5-dioxopyrrol-1-yl)acetohydrazide;2,2,2-trifluoroacetic acid has a molecular weight of 283.16 g/mol, XLogP of -1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)acetohydrazide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71749878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).