2-(2,5-dioxopyrrol-1-yl)-N'-[2-(2,5-dioxopyrrol-1-yl)acetyl]acetohydrazide

C12H10N4O6 — CID 175805177

IUPAC2-(2,5-dioxopyrrol-1-yl)-N'-[2-(2,5-dioxopyrrol-1-yl)acetyl]acetohydrazide
SMILESO=C(CN1C(=O)C=CC1=O)NNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C12H10N4O6/c17-7(5-15-9(19)1-2-10(15)20)13-14-8(18)6-16-11(21)3-4-12(16)22/h1-4H,5-6H2,(H,13,17)(H,14,18)
InChIKeyTWLGGNAMENOBAM-UHFFFAOYSA-N
MW306.23 g/mol
LogP-3.02
Rot. Bonds4

About 2-(2,5-dioxopyrrol-1-yl)-N'-[2-(2,5-dioxopyrrol-1-yl)acetyl]acetohydrazide

2-(2,5-dioxopyrrol-1-yl)-N'-[2-(2,5-dioxopyrrol-1-yl)acetyl]acetohydrazide (PubChem CID 175805177) has the molecular formula C12H10N4O6 and a molecular weight of 306.23 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-N'-[2-(2,5-dioxopyrrol-1-yl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-N'-[2-(2,5-dioxopyrrol-1-yl)acetyl]acetohydrazide
PubChem CID175805177
Molecular FormulaC12H10N4O6
Molecular Weight306.23 g/mol
Exact Mass306.06
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-N'-[2-(2,5-dioxopyrrol-1-yl)acetyl]acetohydrazide
SMILESO=C(CN1C(=O)C=CC1=O)NNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C12H10N4O6/c17-7(5-15-9(19)1-2-10(15)20)13-14-8(18)6-16-11(21)3-4-12(16)22/h1-4H,5-6H2,(H,13,17)(H,14,18)
InChIKeyTWLGGNAMENOBAM-UHFFFAOYSA-N
XLogP-3.02
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 5-3.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,5-Dioxopyrrol-1-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
CID 23557818
2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(2-methylidenehydrazinyl)-2-oxoethyl]amino]-N-(methylideneamino)acetamide
CID 23557819
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-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetohydrazide
CID 45089030
2-(2,5-Dioxopyrrol-1-yl)propanehydrazide
CID 66836198
4-[3-(4-Hydrazinyl-4-oxobut-2-enyl)-2,4-dioxoimidazolidin-1-yl]but-2-enehydrazide
CID 69094561
2-(2,5-Dioxopyrrol-1-yl)propanehydrazide;hydrochloride
CID 71431300
N-[[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[2-[hydroxy(methyl)boranyl]hydrazinyl]-2-oxoethyl]amino]acetyl]amino]-methylboronamidic acid
CID 91050897
2-[2-(2,5-dioxopyrrol-1-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide;2-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(2-methylidenehydrazinyl)-2-oxoethyl]amino]-N-(methylideneamino)acetamide
CID 91272699
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;2-[2-[2-[bis[2-(2-methylidenehydrazinyl)-2-oxoethyl]amino]ethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]ethyl-[2-(2-methylidenehydrazinyl)-2-oxoethyl]amino]-N-(methylideneamino)acetamide
CID 91402831
1-[2-(2,2-Dimethylhydrazinyl)ethyl]pyrrole-2,5-dione
CID 123161946
N-(2-aminoethyl)-N-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]formamide
CID 123393531

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N'-[2-(2,5-dioxopyrrol-1-yl)acetyl]acetohydrazide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N'-[2-(2,5-dioxopyrrol-1-yl)acetyl]acetohydrazide (CID 175805177) is 2-(2,5-dioxopyrrol-1-yl)-N'-[2-(2,5-dioxopyrrol-1-yl)acetyl]acetohydrazide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-N'-[2-(2,5-dioxopyrrol-1-yl)acetyl]acetohydrazide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-N'-[2-(2,5-dioxopyrrol-1-yl)acetyl]acetohydrazide is O=C(CN1C(=O)C=CC1=O)NNC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-N'-[2-(2,5-dioxopyrrol-1-yl)acetyl]acetohydrazide?
The InChIKey is TWLGGNAMENOBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O6/c17-7(5-15-9(19)1-2-10(15)20)13-14-8(18)6-16-11(21)3-4-12(16)22/h1-4H,5-6H2,(H,13,17)(H,14,18).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-N'-[2-(2,5-dioxopyrrol-1-yl)acetyl]acetohydrazide?
2-(2,5-dioxopyrrol-1-yl)-N'-[2-(2,5-dioxopyrrol-1-yl)acetyl]acetohydrazide has a molecular weight of 306.23 g/mol, XLogP of -3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)-N'-[2-(2,5-dioxopyrrol-1-yl)acetyl]acetohydrazide is sourced from PubChem (CID 175805177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).