4-[3-(4-hydrazinyl-4-oxobut-2-enyl)-2,4-dioxoimidazolidin-1-yl]but-2-enehydrazide

C11H16N6O4 — CID 69094561

IUPAC4-[3-(4-hydrazinyl-4-oxobut-2-enyl)-2,4-dioxoimidazolidin-1-yl]but-2-enehydrazide
SMILESNNC(=O)C=CCN1CC(=O)N(CC=CC(=O)NN)C1=O
InChIInChI=1S/C11H16N6O4/c12-14-8(18)3-1-5-16-7-10(20)17(11(16)21)6-2-4-9(19)15-13/h1-4H,5-7,12-13H2,(H,14,18)(H,15,19)
InChIKeyFJSPFCAQRCCDMS-UHFFFAOYSA-N
MW296.29 g/mol
LogP-2.66
Rot. Bonds6

About 4-[3-(4-hydrazinyl-4-oxobut-2-enyl)-2,4-dioxoimidazolidin-1-yl]but-2-enehydrazide

4-[3-(4-hydrazinyl-4-oxobut-2-enyl)-2,4-dioxoimidazolidin-1-yl]but-2-enehydrazide (PubChem CID 69094561) has the molecular formula C11H16N6O4 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-[3-(4-hydrazinyl-4-oxobut-2-enyl)-2,4-dioxoimidazolidin-1-yl]but-2-enehydrazide.

Molecular Properties

Compound Name4-[3-(4-hydrazinyl-4-oxobut-2-enyl)-2,4-dioxoimidazolidin-1-yl]but-2-enehydrazide
PubChem CID69094561
Molecular FormulaC11H16N6O4
Molecular Weight296.29 g/mol
Exact Mass296.12
IUPAC Name4-[3-(4-hydrazinyl-4-oxobut-2-enyl)-2,4-dioxoimidazolidin-1-yl]but-2-enehydrazide
SMILESNNC(=O)C=CCN1CC(=O)N(CC=CC(=O)NN)C1=O
InChIInChI=1S/C11H16N6O4/c12-14-8(18)3-1-5-16-7-10(20)17(11(16)21)6-2-4-9(19)15-13/h1-4H,5-7,12-13H2,(H,14,18)(H,15,19)
InChIKeyFJSPFCAQRCCDMS-UHFFFAOYSA-N
XLogP-2.66
TPSA150.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 5-2.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[3-(4-hydrazinyl-4-oxobut-2-enyl)-2,4-dioxoimidazolidin-1-yl]but-2-enehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydrazinyl-4-oxobut-2-enyl)-2,4-dioxoimidazolidin-1-yl]but-2-enehydrazide?
The IUPAC name of 4-[3-(4-hydrazinyl-4-oxobut-2-enyl)-2,4-dioxoimidazolidin-1-yl]but-2-enehydrazide (CID 69094561) is 4-[3-(4-hydrazinyl-4-oxobut-2-enyl)-2,4-dioxoimidazolidin-1-yl]but-2-enehydrazide.
What is the SMILES notation for 4-[3-(4-hydrazinyl-4-oxobut-2-enyl)-2,4-dioxoimidazolidin-1-yl]but-2-enehydrazide?
The canonical SMILES for 4-[3-(4-hydrazinyl-4-oxobut-2-enyl)-2,4-dioxoimidazolidin-1-yl]but-2-enehydrazide is NNC(=O)C=CCN1CC(=O)N(CC=CC(=O)NN)C1=O.
What is the InChIKey of 4-[3-(4-hydrazinyl-4-oxobut-2-enyl)-2,4-dioxoimidazolidin-1-yl]but-2-enehydrazide?
The InChIKey is FJSPFCAQRCCDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O4/c12-14-8(18)3-1-5-16-7-10(20)17(11(16)21)6-2-4-9(19)15-13/h1-4H,5-7,12-13H2,(H,14,18)(H,15,19).
What are the key properties of 4-[3-(4-hydrazinyl-4-oxobut-2-enyl)-2,4-dioxoimidazolidin-1-yl]but-2-enehydrazide?
4-[3-(4-hydrazinyl-4-oxobut-2-enyl)-2,4-dioxoimidazolidin-1-yl]but-2-enehydrazide has a molecular weight of 296.29 g/mol, XLogP of -2.66, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydrazinyl-4-oxobut-2-enyl)-2,4-dioxoimidazolidin-1-yl]but-2-enehydrazide is sourced from PubChem (CID 69094561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).