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

C6H7N3O3 — CID 45089030

IUPAC2-(2,5-dioxopyrrol-1-yl)acetohydrazide
SMILESNNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C6H7N3O3/c7-8-4(10)3-9-5(11)1-2-6(9)12/h1-2H,3,7H2,(H,8,10)
InChIKeyGVGAQZDNPZWHHD-UHFFFAOYSA-N
MW169.14 g/mol
LogP-2.10
Rot. Bonds2

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

2-(2,5-dioxopyrrol-1-yl)acetohydrazide (PubChem CID 45089030) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)acetohydrazide
PubChem CID45089030
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name2-(2,5-dioxopyrrol-1-yl)acetohydrazide
SMILESNNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C6H7N3O3/c7-8-4(10)3-9-5(11)1-2-6(9)12/h1-2H,3,7H2,(H,8,10)
InChIKeyGVGAQZDNPZWHHD-UHFFFAOYSA-N
XLogP-2.10
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-2.10
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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Related Compounds

2-(2,5-Dioxopyrrol-1-yl)acetamide
CID 18534489
2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 3595132
2-[2-(2,5-Dioxopyrrol-1-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
CID 23557818
2-[2-[2-[Bis(2-hydrazinyl-2-oxoethyl)amino]ethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
CID 23557820
2-(2,5-dioxopyrrol-1-yl)-N-(methylideneamino)acetamide
CID 57884705
2-(2,5-Dioxopyrrol-1-yl)propanehydrazide
CID 66836198
2-(2,5-Dioxopyrrol-1-yl)propanehydrazide;hydrochloride
CID 71431300
1-[2-(2,2-Dimethylhydrazinyl)ethyl]pyrrole-2,5-dione
CID 123161946
2-(2,5-dioxopyrrol-1-yl)-N'-methylacetohydrazide
CID 132082721
2-(2,5-Dioxopyrrol-1-yl)acetohydrazide;hydrochloride
CID 141721642
2-amino-N-(2,5-dioxopyrrol-1-yl)acetamide
CID 164060059
2-(2,5-Dioxopyrrol-1-yl)acetamide;molecular hydrogen
CID 170738576

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)acetohydrazide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)acetohydrazide (CID 45089030) is 2-(2,5-dioxopyrrol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)acetohydrazide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)acetohydrazide is NNC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)acetohydrazide?
The InChIKey is GVGAQZDNPZWHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c7-8-4(10)3-9-5(11)1-2-6(9)12/h1-2H,3,7H2,(H,8,10).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)acetohydrazide?
2-(2,5-dioxopyrrol-1-yl)acetohydrazide has a molecular weight of 169.14 g/mol, XLogP of -2.10, 2 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)acetohydrazide is sourced from PubChem (CID 45089030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).