4-(2,5-dioxopyrrol-1-yl)butanehydrazide;2,2,2-trifluoroacetic acid

C10H12F3N3O5 — CID 68635864

IUPAC4-(2,5-dioxopyrrol-1-yl)butanehydrazide;2,2,2-trifluoroacetic acid
SMILESNNC(=O)CCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11N3O3.C2HF3O2/c9-10-6(12)2-1-5-11-7(13)3-4-8(11)14;3-2(4,5)1(6)7/h3-4H,1-2,5,9H2,(H,10,12);(H,6,7)
InChIKeyNEUTUTFHPISSAL-UHFFFAOYSA-N
MW311.22 g/mol
LogP-0.69
Rot. Bonds4

About 4-(2,5-dioxopyrrol-1-yl)butanehydrazide;2,2,2-trifluoroacetic acid

4-(2,5-dioxopyrrol-1-yl)butanehydrazide;2,2,2-trifluoroacetic acid (PubChem CID 68635864) has the molecular formula C10H12F3N3O5 and a molecular weight of 311.22 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)butanehydrazide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)butanehydrazide;2,2,2-trifluoroacetic acid
PubChem CID68635864
Molecular FormulaC10H12F3N3O5
Molecular Weight311.22 g/mol
Exact Mass311.07
IUPAC Name4-(2,5-dioxopyrrol-1-yl)butanehydrazide;2,2,2-trifluoroacetic acid
SMILESNNC(=O)CCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11N3O3.C2HF3O2/c9-10-6(12)2-1-5-11-7(13)3-4-8(11)14;3-2(4,5)1(6)7/h3-4H,1-2,5,9H2,(H,10,12);(H,6,7)
InChIKeyNEUTUTFHPISSAL-UHFFFAOYSA-N
XLogP-0.69
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 5-0.69
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

6-Maleimidohexanehydrazide Trifluoroacetate
CID 23509306
3-Maleimidopropiohydrazide Trifluoroacetate
CID 71607324
N-kappa-Maleimidoundecanoic acid hydrazide trifluoroacetate (1:1)
CID 156026938
6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N'-methylhexanehydrazide trifluoroacetate
CID 70980470
4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2,2-dimethylbutanehydrazide trifluoroacetate
CID 70980510
4-(2,5-dioxopyrrol-1-yl)-N-(2,2,2-trifluoroacetyl)butanehydrazide
CID 92020424
BMPH (N-(beta-maleimidopropionic acid) hydrazide, trifluoroacetic acid salt)
CID 124202981
[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]azanium;2,2,2-trifluoroacetic acid
CID 162325367
2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetohydrazide 2,2,2-trifluoroacetate
CID 71749878
EMCH (N-(epsilon-maleimidocaproic acid) hydrazide, trifluoroacetic acid salt)
CID 124202982
C20H24F3N5O8
CID 156026688
C18H20F3N5O8
CID 156026690

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)butanehydrazide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)butanehydrazide;2,2,2-trifluoroacetic acid (CID 68635864) is 4-(2,5-dioxopyrrol-1-yl)butanehydrazide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)butanehydrazide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)butanehydrazide;2,2,2-trifluoroacetic acid is NNC(=O)CCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)butanehydrazide;2,2,2-trifluoroacetic acid?
The InChIKey is NEUTUTFHPISSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3.C2HF3O2/c9-10-6(12)2-1-5-11-7(13)3-4-8(11)14;3-2(4,5)1(6)7/h3-4H,1-2,5,9H2,(H,10,12);(H,6,7).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)butanehydrazide;2,2,2-trifluoroacetic acid?
4-(2,5-dioxopyrrol-1-yl)butanehydrazide;2,2,2-trifluoroacetic acid has a molecular weight of 311.22 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)butanehydrazide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68635864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).