2-(2,5-dioxopyrrol-1-yl)pentanehydrazide

C9H13N3O3 — CID 175837532

IUPAC2-(2,5-dioxopyrrol-1-yl)pentanehydrazide
SMILESCCCC(C(=O)NN)N1C(=O)C=CC1=O
InChIInChI=1S/C9H13N3O3/c1-2-3-6(9(15)11-10)12-7(13)4-5-8(12)14/h4-6H,2-3,10H2,1H3,(H,11,15)
InChIKeyWAUIILLCGLGHOA-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.93
Rot. Bonds4

About 2-(2,5-dioxopyrrol-1-yl)pentanehydrazide

2-(2,5-dioxopyrrol-1-yl)pentanehydrazide (PubChem CID 175837532) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)pentanehydrazide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)pentanehydrazide
PubChem CID175837532
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-(2,5-dioxopyrrol-1-yl)pentanehydrazide
SMILESCCCC(C(=O)NN)N1C(=O)C=CC1=O
InChIInChI=1S/C9H13N3O3/c1-2-3-6(9(15)11-10)12-7(13)4-5-8(12)14/h4-6H,2-3,10H2,1H3,(H,11,15)
InChIKeyWAUIILLCGLGHOA-UHFFFAOYSA-N
XLogP-0.93
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)pentanehydrazide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)pentanehydrazide (CID 175837532) is 2-(2,5-dioxopyrrol-1-yl)pentanehydrazide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)pentanehydrazide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)pentanehydrazide is CCCC(C(=O)NN)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)pentanehydrazide?
The InChIKey is WAUIILLCGLGHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-2-3-6(9(15)11-10)12-7(13)4-5-8(12)14/h4-6H,2-3,10H2,1H3,(H,11,15).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)pentanehydrazide?
2-(2,5-dioxopyrrol-1-yl)pentanehydrazide has a molecular weight of 211.22 g/mol, XLogP of -0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)pentanehydrazide is sourced from PubChem (CID 175837532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).