1-[2-[2-oxo-2-(2-phenylhydrazinyl)acetyl]hydrazinyl]ethane-1,1-diolate

C10H12N4O4-2 — CID 59286376

IUPAC1-[2-[2-oxo-2-(2-phenylhydrazinyl)acetyl]hydrazinyl]ethane-1,1-diolate
SMILESCC([O-])([O-])NNC(=O)C(=O)NNc1ccccc1
InChIInChI=1S/C10H12N4O4/c1-10(17,18)14-13-9(16)8(15)12-11-7-5-3-2-4-6-7/h2-6,11,14H,1H3,(H,12,15)(H,13,16)/q-2
InChIKeyOPKNRYPVKKJSQO-UHFFFAOYSA-N
MW252.23 g/mol
LogP-2.86
Rot. Bonds4

About 1-[2-[2-oxo-2-(2-phenylhydrazinyl)acetyl]hydrazinyl]ethane-1,1-diolate

1-[2-[2-oxo-2-(2-phenylhydrazinyl)acetyl]hydrazinyl]ethane-1,1-diolate (PubChem CID 59286376) has the molecular formula C10H12N4O4-2 and a molecular weight of 252.23 g/mol. Its IUPAC name is 1-[2-[2-oxo-2-(2-phenylhydrazinyl)acetyl]hydrazinyl]ethane-1,1-diolate.

Molecular Properties

Compound Name1-[2-[2-oxo-2-(2-phenylhydrazinyl)acetyl]hydrazinyl]ethane-1,1-diolate
PubChem CID59286376
Molecular FormulaC10H12N4O4-2
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name1-[2-[2-oxo-2-(2-phenylhydrazinyl)acetyl]hydrazinyl]ethane-1,1-diolate
SMILESCC([O-])([O-])NNC(=O)C(=O)NNc1ccccc1
InChIInChI=1S/C10H12N4O4/c1-10(17,18)14-13-9(16)8(15)12-11-7-5-3-2-4-6-7/h2-6,11,14H,1H3,(H,12,15)(H,13,16)/q-2
InChIKeyOPKNRYPVKKJSQO-UHFFFAOYSA-N
XLogP-2.86
TPSA128.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-2.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 1-[2-[2-oxo-2-(2-phenylhydrazinyl)acetyl]hydrazinyl]ethane-1,1-diolate?
The IUPAC name of 1-[2-[2-oxo-2-(2-phenylhydrazinyl)acetyl]hydrazinyl]ethane-1,1-diolate (CID 59286376) is 1-[2-[2-oxo-2-(2-phenylhydrazinyl)acetyl]hydrazinyl]ethane-1,1-diolate.
What is the SMILES notation for 1-[2-[2-oxo-2-(2-phenylhydrazinyl)acetyl]hydrazinyl]ethane-1,1-diolate?
The canonical SMILES for 1-[2-[2-oxo-2-(2-phenylhydrazinyl)acetyl]hydrazinyl]ethane-1,1-diolate is CC([O-])([O-])NNC(=O)C(=O)NNc1ccccc1.
What is the InChIKey of 1-[2-[2-oxo-2-(2-phenylhydrazinyl)acetyl]hydrazinyl]ethane-1,1-diolate?
The InChIKey is OPKNRYPVKKJSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c1-10(17,18)14-13-9(16)8(15)12-11-7-5-3-2-4-6-7/h2-6,11,14H,1H3,(H,12,15)(H,13,16)/q-2.
What are the key properties of 1-[2-[2-oxo-2-(2-phenylhydrazinyl)acetyl]hydrazinyl]ethane-1,1-diolate?
1-[2-[2-oxo-2-(2-phenylhydrazinyl)acetyl]hydrazinyl]ethane-1,1-diolate has a molecular weight of 252.23 g/mol, XLogP of -2.86, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-oxo-2-(2-phenylhydrazinyl)acetyl]hydrazinyl]ethane-1,1-diolate is sourced from PubChem (CID 59286376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).