5-(2,2-diphenylhydrazinyl)-5-oxopentanoic acid

C17H18N2O3 — CID 154425320

IUPAC5-(2,2-diphenylhydrazinyl)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2O3/c20-16(12-7-13-17(21)22)18-19(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H,18,20)(H,21,22)
InChIKeyXTXMTJJFYMPQSD-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.11
Rot. Bonds7

About 5-(2,2-diphenylhydrazinyl)-5-oxopentanoic acid

5-(2,2-diphenylhydrazinyl)-5-oxopentanoic acid (PubChem CID 154425320) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-(2,2-diphenylhydrazinyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2,2-diphenylhydrazinyl)-5-oxopentanoic acid
PubChem CID154425320
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name5-(2,2-diphenylhydrazinyl)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2O3/c20-16(12-7-13-17(21)22)18-19(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H,18,20)(H,21,22)
InChIKeyXTXMTJJFYMPQSD-UHFFFAOYSA-N
XLogP3.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-diphenylhydrazinyl)-5-oxopentanoic acid?
The IUPAC name of 5-(2,2-diphenylhydrazinyl)-5-oxopentanoic acid (CID 154425320) is 5-(2,2-diphenylhydrazinyl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(2,2-diphenylhydrazinyl)-5-oxopentanoic acid?
The canonical SMILES for 5-(2,2-diphenylhydrazinyl)-5-oxopentanoic acid is O=C(O)CCCC(=O)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(2,2-diphenylhydrazinyl)-5-oxopentanoic acid?
The InChIKey is XTXMTJJFYMPQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16(12-7-13-17(21)22)18-19(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H,18,20)(H,21,22).
What are the key properties of 5-(2,2-diphenylhydrazinyl)-5-oxopentanoic acid?
5-(2,2-diphenylhydrazinyl)-5-oxopentanoic acid has a molecular weight of 298.34 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-diphenylhydrazinyl)-5-oxopentanoic acid is sourced from PubChem (CID 154425320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).