3-[3-(4-hydrazinyl-4-oxobutan-2-yl)-2-oxoimidazolidin-1-yl]butanehydrazide

C11H22N6O3 — CID 23136087

IUPAC3-[3-(4-hydrazinyl-4-oxobutan-2-yl)-2-oxoimidazolidin-1-yl]butanehydrazide
SMILESCC(CC(=O)NN)N1CCN(C(C)CC(=O)NN)C1=O
InChIInChI=1S/C11H22N6O3/c1-7(5-9(18)14-12)16-3-4-17(11(16)20)8(2)6-10(19)15-13/h7-8H,3-6,12-13H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyOEEHPBSMJXPUME-UHFFFAOYSA-N
MW286.34 g/mol
LogP-1.74
Rot. Bonds6

About 3-[3-(4-hydrazinyl-4-oxobutan-2-yl)-2-oxoimidazolidin-1-yl]butanehydrazide

3-[3-(4-hydrazinyl-4-oxobutan-2-yl)-2-oxoimidazolidin-1-yl]butanehydrazide (PubChem CID 23136087) has the molecular formula C11H22N6O3 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-[3-(4-hydrazinyl-4-oxobutan-2-yl)-2-oxoimidazolidin-1-yl]butanehydrazide.

Molecular Properties

Compound Name3-[3-(4-hydrazinyl-4-oxobutan-2-yl)-2-oxoimidazolidin-1-yl]butanehydrazide
PubChem CID23136087
Molecular FormulaC11H22N6O3
Molecular Weight286.34 g/mol
Exact Mass286.18
IUPAC Name3-[3-(4-hydrazinyl-4-oxobutan-2-yl)-2-oxoimidazolidin-1-yl]butanehydrazide
SMILESCC(CC(=O)NN)N1CCN(C(C)CC(=O)NN)C1=O
InChIInChI=1S/C11H22N6O3/c1-7(5-9(18)14-12)16-3-4-17(11(16)20)8(2)6-10(19)15-13/h7-8H,3-6,12-13H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyOEEHPBSMJXPUME-UHFFFAOYSA-N
XLogP-1.74
TPSA133.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 5-1.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-hydrazinyl-4-oxobutan-2-yl)-2-oxoimidazolidin-1-yl]butanehydrazide?
The IUPAC name of 3-[3-(4-hydrazinyl-4-oxobutan-2-yl)-2-oxoimidazolidin-1-yl]butanehydrazide (CID 23136087) is 3-[3-(4-hydrazinyl-4-oxobutan-2-yl)-2-oxoimidazolidin-1-yl]butanehydrazide.
What is the SMILES notation for 3-[3-(4-hydrazinyl-4-oxobutan-2-yl)-2-oxoimidazolidin-1-yl]butanehydrazide?
The canonical SMILES for 3-[3-(4-hydrazinyl-4-oxobutan-2-yl)-2-oxoimidazolidin-1-yl]butanehydrazide is CC(CC(=O)NN)N1CCN(C(C)CC(=O)NN)C1=O.
What is the InChIKey of 3-[3-(4-hydrazinyl-4-oxobutan-2-yl)-2-oxoimidazolidin-1-yl]butanehydrazide?
The InChIKey is OEEHPBSMJXPUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O3/c1-7(5-9(18)14-12)16-3-4-17(11(16)20)8(2)6-10(19)15-13/h7-8H,3-6,12-13H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of 3-[3-(4-hydrazinyl-4-oxobutan-2-yl)-2-oxoimidazolidin-1-yl]butanehydrazide?
3-[3-(4-hydrazinyl-4-oxobutan-2-yl)-2-oxoimidazolidin-1-yl]butanehydrazide has a molecular weight of 286.34 g/mol, XLogP of -1.74, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-hydrazinyl-4-oxobutan-2-yl)-2-oxoimidazolidin-1-yl]butanehydrazide is sourced from PubChem (CID 23136087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).