4-(2-benzoylhydrazinyl)-4-oxobutanoate

C11H11N2O4- — CID 2165242

IUPAC4-(2-benzoylhydrazinyl)-4-oxobutanoate
SMILESO=C([O-])CCC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C11H12N2O4/c14-9(6-7-10(15)16)12-13-11(17)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)(H,13,17)(H,15,16)/p-1
InChIKeyBCAYFYHKUBCJIB-UHFFFAOYSA-M
MW235.22 g/mol
LogP-1.02
Rot. Bonds4

About 4-(2-benzoylhydrazinyl)-4-oxobutanoate

4-(2-benzoylhydrazinyl)-4-oxobutanoate (PubChem CID 2165242) has the molecular formula C11H11N2O4- and a molecular weight of 235.22 g/mol. Its IUPAC name is 4-(2-benzoylhydrazinyl)-4-oxobutanoate.

Molecular Properties

Compound Name4-(2-benzoylhydrazinyl)-4-oxobutanoate
PubChem CID2165242
Molecular FormulaC11H11N2O4-
Molecular Weight235.22 g/mol
Exact Mass235.07
IUPAC Name4-(2-benzoylhydrazinyl)-4-oxobutanoate
SMILESO=C([O-])CCC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C11H12N2O4/c14-9(6-7-10(15)16)12-13-11(17)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)(H,13,17)(H,15,16)/p-1
InChIKeyBCAYFYHKUBCJIB-UHFFFAOYSA-M
XLogP-1.02
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4,4,4-trifluorobutanoyl)benzohydrazide
CID 171757992
4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate
CID 7027212
4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid
CID 3293283
N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide
CID 3359263
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159
4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate
CID 7034789
diazanium;benzoic acid;butanedioate
CID 172678265
N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 24654425
N'-[4-(2-methoxyethoxy)butanoyl]benzohydrazide
CID 47365652
N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
CID 30859496

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzoylhydrazinyl)-4-oxobutanoate?
The IUPAC name of 4-(2-benzoylhydrazinyl)-4-oxobutanoate (CID 2165242) is 4-(2-benzoylhydrazinyl)-4-oxobutanoate.
What is the SMILES notation for 4-(2-benzoylhydrazinyl)-4-oxobutanoate?
The canonical SMILES for 4-(2-benzoylhydrazinyl)-4-oxobutanoate is O=C([O-])CCC(=O)NNC(=O)c1ccccc1.
What is the InChIKey of 4-(2-benzoylhydrazinyl)-4-oxobutanoate?
The InChIKey is BCAYFYHKUBCJIB-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12N2O4/c14-9(6-7-10(15)16)12-13-11(17)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)(H,13,17)(H,15,16)/p-1.
What are the key properties of 4-(2-benzoylhydrazinyl)-4-oxobutanoate?
4-(2-benzoylhydrazinyl)-4-oxobutanoate has a molecular weight of 235.22 g/mol, XLogP of -1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzoylhydrazinyl)-4-oxobutanoate is sourced from PubChem (CID 2165242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).