[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate

C15H16N2O6 — CID 8937226

IUPAC[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESC[C@@H](OC(=O)C1=COCCO1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C15H16N2O6/c1-10(23-15(20)12-9-21-7-8-22-12)13(18)16-17-14(19)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,18)(H,17,19)/t10-/m1/s1
InChIKeyFWMLHPJEIWNUTD-SNVBAGLBSA-N
MW320.30 g/mol
LogP0.27
Rot. Bonds4

About [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate

[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate (PubChem CID 8937226) has the molecular formula C15H16N2O6 and a molecular weight of 320.30 g/mol. Its IUPAC name is [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate
PubChem CID8937226
Molecular FormulaC15H16N2O6
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESC[C@@H](OC(=O)C1=COCCO1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C15H16N2O6/c1-10(23-15(20)12-9-21-7-8-22-12)13(18)16-17-14(19)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,18)(H,17,19)/t10-/m1/s1
InChIKeyFWMLHPJEIWNUTD-SNVBAGLBSA-N
XLogP0.27
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate with MolForge

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Related Compounds

[(2S)-1-anilino-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2631249
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] furan-2-carboxylate
CID 8862579
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7395559
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2649921
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 8872704
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 8864345
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate
CID 8940397
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-fluorobenzoate
CID 8868567
[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7395561
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 9064395
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 8860466
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate
CID 8864955

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The IUPAC name of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate (CID 8937226) is [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate.
What is the SMILES notation for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The canonical SMILES for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate is C[C@@H](OC(=O)C1=COCCO1)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The InChIKey is FWMLHPJEIWNUTD-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N2O6/c1-10(23-15(20)12-9-21-7-8-22-12)13(18)16-17-14(19)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,18)(H,17,19)/t10-/m1/s1.
What are the key properties of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate has a molecular weight of 320.30 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate is sourced from PubChem (CID 8937226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).