6-(2,5-dioxopyrrol-1-yl)hexanehydrazide;2,2,2-trifluoroacetic acid

C12H16F3N3O5 — CID 23509306

IUPAC6-(2,5-dioxopyrrol-1-yl)hexanehydrazide;2,2,2-trifluoroacetic acid
SMILESNNC(=O)CCCCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C10H15N3O3.C2HF3O2/c11-12-8(14)4-2-1-3-7-13-9(15)5-6-10(13)16;3-2(4,5)1(6)7/h5-6H,1-4,7,11H2,(H,12,14);(H,6,7)
InChIKeyDRURMGRBAVYWCL-UHFFFAOYSA-N
MW339.27 g/mol
LogP0.09
Rot. Bonds6

About 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide;2,2,2-trifluoroacetic acid

6-(2,5-dioxopyrrol-1-yl)hexanehydrazide;2,2,2-trifluoroacetic acid (PubChem CID 23509306) has the molecular formula C12H16F3N3O5 and a molecular weight of 339.27 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)hexanehydrazide;2,2,2-trifluoroacetic acid
PubChem CID23509306
Molecular FormulaC12H16F3N3O5
Molecular Weight339.27 g/mol
Exact Mass339.10
IUPAC Name6-(2,5-dioxopyrrol-1-yl)hexanehydrazide;2,2,2-trifluoroacetic acid
SMILESNNC(=O)CCCCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C10H15N3O3.C2HF3O2/c11-12-8(14)4-2-1-3-7-13-9(15)5-6-10(13)16;3-2(4,5)1(6)7/h5-6H,1-4,7,11H2,(H,12,14);(H,6,7)
InChIKeyDRURMGRBAVYWCL-UHFFFAOYSA-N
XLogP0.09
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide;2,2,2-trifluoroacetic acid (CID 23509306) is 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide;2,2,2-trifluoroacetic acid is NNC(=O)CCCCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide;2,2,2-trifluoroacetic acid?
The InChIKey is DRURMGRBAVYWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3.C2HF3O2/c11-12-8(14)4-2-1-3-7-13-9(15)5-6-10(13)16;3-2(4,5)1(6)7/h5-6H,1-4,7,11H2,(H,12,14);(H,6,7).
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide;2,2,2-trifluoroacetic acid?
6-(2,5-dioxopyrrol-1-yl)hexanehydrazide;2,2,2-trifluoroacetic acid has a molecular weight of 339.27 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 23509306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).