3-(2,5-dioxopyrrol-1-yl)propanehydrazide;2,2,2-trifluoroacetic acid

C9H10F3N3O5 — CID 71607324

IUPAC3-(2,5-dioxopyrrol-1-yl)propanehydrazide;2,2,2-trifluoroacetic acid
SMILESNNC(=O)CCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H9N3O3.C2HF3O2/c8-9-5(11)3-4-10-6(12)1-2-7(10)13;3-2(4,5)1(6)7/h1-2H,3-4,8H2,(H,9,11);(H,6,7)
InChIKeyBADCXPKRBUEEMA-UHFFFAOYSA-N
MW297.19 g/mol
LogP-1.08
Rot. Bonds3

About 3-(2,5-dioxopyrrol-1-yl)propanehydrazide;2,2,2-trifluoroacetic acid

3-(2,5-dioxopyrrol-1-yl)propanehydrazide;2,2,2-trifluoroacetic acid (PubChem CID 71607324) has the molecular formula C9H10F3N3O5 and a molecular weight of 297.19 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)propanehydrazide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)propanehydrazide;2,2,2-trifluoroacetic acid
PubChem CID71607324
Molecular FormulaC9H10F3N3O5
Molecular Weight297.19 g/mol
Exact Mass297.06
IUPAC Name3-(2,5-dioxopyrrol-1-yl)propanehydrazide;2,2,2-trifluoroacetic acid
SMILESNNC(=O)CCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H9N3O3.C2HF3O2/c8-9-5(11)3-4-10-6(12)1-2-7(10)13;3-2(4,5)1(6)7/h1-2H,3-4,8H2,(H,9,11);(H,6,7)
InChIKeyBADCXPKRBUEEMA-UHFFFAOYSA-N
XLogP-1.08
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 5-1.08
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'}

Analyze 3-(2,5-dioxopyrrol-1-yl)propanehydrazide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)propanehydrazide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)propanehydrazide;2,2,2-trifluoroacetic acid (CID 71607324) is 3-(2,5-dioxopyrrol-1-yl)propanehydrazide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)propanehydrazide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)propanehydrazide;2,2,2-trifluoroacetic acid is NNC(=O)CCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)propanehydrazide;2,2,2-trifluoroacetic acid?
The InChIKey is BADCXPKRBUEEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3.C2HF3O2/c8-9-5(11)3-4-10-6(12)1-2-7(10)13;3-2(4,5)1(6)7/h1-2H,3-4,8H2,(H,9,11);(H,6,7).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)propanehydrazide;2,2,2-trifluoroacetic acid?
3-(2,5-dioxopyrrol-1-yl)propanehydrazide;2,2,2-trifluoroacetic acid has a molecular weight of 297.19 g/mol, XLogP of -1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)propanehydrazide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71607324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).