3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide

C8H18N4O3 — CID 87665575

IUPAC3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide
SMILESCC(CC(=O)NN)OC(C)CC(=O)NN
InChIInChI=1S/C8H18N4O3/c1-5(3-7(13)11-9)15-6(2)4-8(14)12-10/h5-6H,3-4,9-10H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyJOIKASHKGMVSOZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP-1.46
Rot. Bonds6

About 3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide

3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide (PubChem CID 87665575) has the molecular formula C8H18N4O3 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide.

Molecular Properties

Compound Name3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide
PubChem CID87665575
Molecular FormulaC8H18N4O3
Molecular Weight218.26 g/mol
Exact Mass218.14
IUPAC Name3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide
SMILESCC(CC(=O)NN)OC(C)CC(=O)NN
InChIInChI=1S/C8H18N4O3/c1-5(3-7(13)11-9)15-6(2)4-8(14)12-10/h5-6H,3-4,9-10H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyJOIKASHKGMVSOZ-UHFFFAOYSA-N
XLogP-1.46
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 5-1.46
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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Related Compounds

3-phosphanylbutanehydrazide
CID 163485274
(3R)-5-hydrazinyl-3-methyl-5-oxopentanamide
CID 173105688
3-methylhexanedihydrazide
CID 141312622
3,3-difluoropropanehydrazide
CID 162600392
3,5,5-trimethylhexanehydrazide
CID 142619235
3-ethylsulfanylbutanehydrazide
CID 63582860
3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide
CID 63573949
3-[bis(2-methylpropyl)amino]butanehydrazide
CID 63583922
3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide
CID 63583760
3-propylsulfanylbutanehydrazide
CID 63582677
methyl 3-(4-hydrazinyl-4-oxobutan-2-yl)sulfanylpropanoate
CID 63582149
3-(aminomethyl)pentanehydrazide
CID 81079841

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide?
The IUPAC name of 3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide (CID 87665575) is 3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide.
What is the SMILES notation for 3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide?
The canonical SMILES for 3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide is CC(CC(=O)NN)OC(C)CC(=O)NN.
What is the InChIKey of 3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide?
The InChIKey is JOIKASHKGMVSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3/c1-5(3-7(13)11-9)15-6(2)4-8(14)12-10/h5-6H,3-4,9-10H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide?
3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide has a molecular weight of 218.26 g/mol, XLogP of -1.46, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide is sourced from PubChem (CID 87665575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).