3-(2,5-dioxopyrrol-1-yl)-N'-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanehydrazide

C14H14N4O6 — CID 166060331

IUPAC3-(2,5-dioxopyrrol-1-yl)-N'-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanehydrazide
SMILESO=C(CCN1C(=O)C=CC1=O)NNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H14N4O6/c19-9(5-7-17-11(21)1-2-12(17)22)15-16-10(20)6-8-18-13(23)3-4-14(18)24/h1-4H,5-8H2,(H,15,19)(H,16,20)
InChIKeyXTTYHOSXUFVLGA-UHFFFAOYSA-N
MW334.29 g/mol
LogP-2.24
Rot. Bonds6

About 3-(2,5-dioxopyrrol-1-yl)-N'-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanehydrazide

3-(2,5-dioxopyrrol-1-yl)-N'-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanehydrazide (PubChem CID 166060331) has the molecular formula C14H14N4O6 and a molecular weight of 334.29 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N'-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanehydrazide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N'-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanehydrazide
PubChem CID166060331
Molecular FormulaC14H14N4O6
Molecular Weight334.29 g/mol
Exact Mass334.09
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N'-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanehydrazide
SMILESO=C(CCN1C(=O)C=CC1=O)NNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H14N4O6/c19-9(5-7-17-11(21)1-2-12(17)22)15-16-10(20)6-8-18-13(23)3-4-14(18)24/h1-4H,5-8H2,(H,15,19)(H,16,20)
InChIKeyXTTYHOSXUFVLGA-UHFFFAOYSA-N
XLogP-2.24
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 5-2.24
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

3-Maleimidopropionic acid hydrazide
CID 4401583
BMPH (N-(beta-maleimidopropionic acid) hydrazide, trifluoroacetic acid salt)
CID 124202981
3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanehydrazide hydrochloride
CID 44119989
4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanehydrazide
CID 53249370
[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]azanium
CID 59514921
1-(3-Hydrazinylpropyl)pyrrole-2,5-dione
CID 66992825
1-[3-(Dimethylamino)propylamino]pyrrole-2,5-dione
CID 68421398
3-(2,5-Dioxopyrrol-1-yl)propanehydrazide tetrafluoroborate
CID 88094536
1-[3-(2-Propylhydrazinyl)propyl]pyrrole-2,5-dione
CID 121327293
3-[[[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]-[methyl-[2-(5-oxo-2H-pyrrol-1-yl)ethyl]amino]phosphoryl]-methylamino]propanehydrazide
CID 123642304
3-(2,5-dioxopyrrol-1-yl)-N-nitrosopropanamide
CID 129048679
3-[[(3-Amino-3-oxopropyl)-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]propanamide
CID 134495372

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N'-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanehydrazide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N'-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanehydrazide (CID 166060331) is 3-(2,5-dioxopyrrol-1-yl)-N'-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanehydrazide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N'-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanehydrazide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N'-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanehydrazide is O=C(CCN1C(=O)C=CC1=O)NNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N'-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanehydrazide?
The InChIKey is XTTYHOSXUFVLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O6/c19-9(5-7-17-11(21)1-2-12(17)22)15-16-10(20)6-8-18-13(23)3-4-14(18)24/h1-4H,5-8H2,(H,15,19)(H,16,20).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N'-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanehydrazide?
3-(2,5-dioxopyrrol-1-yl)-N'-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanehydrazide has a molecular weight of 334.29 g/mol, XLogP of -2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N'-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanehydrazide is sourced from PubChem (CID 166060331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).