4-(2,5-dioxopyrrol-1-yl)butanehydrazide

C8H11N3O3 — CID 53249370

IUPAC4-(2,5-dioxopyrrol-1-yl)butanehydrazide
SMILESNNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H11N3O3/c9-10-6(12)2-1-5-11-7(13)3-4-8(11)14/h3-4H,1-2,5,9H2,(H,10,12)
InChIKeyBMFQKRITGGSIAB-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.32
Rot. Bonds4

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

4-(2,5-dioxopyrrol-1-yl)butanehydrazide (PubChem CID 53249370) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)butanehydrazide
PubChem CID53249370
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name4-(2,5-dioxopyrrol-1-yl)butanehydrazide
SMILESNNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H11N3O3/c9-10-6(12)2-1-5-11-7(13)3-4-8(11)14/h3-4H,1-2,5,9H2,(H,10,12)
InChIKeyBMFQKRITGGSIAB-UHFFFAOYSA-N
XLogP-1.32
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.32
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 4-(2,5-dioxopyrrol-1-yl)butanehydrazide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)butanehydrazide (CID 53249370) is 4-(2,5-dioxopyrrol-1-yl)butanehydrazide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)butanehydrazide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)butanehydrazide is NNC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)butanehydrazide?
The InChIKey is BMFQKRITGGSIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c9-10-6(12)2-1-5-11-7(13)3-4-8(11)14/h3-4H,1-2,5,9H2,(H,10,12).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)butanehydrazide?
4-(2,5-dioxopyrrol-1-yl)butanehydrazide has a molecular weight of 197.19 g/mol, XLogP of -1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)butanehydrazide is sourced from PubChem (CID 53249370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).