oxalic acid;1-phenylethylhydrazine

C10H14N2O4 — CID 16472

IUPACoxalic acid;1-phenylethylhydrazine
SMILESCC(NN)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C8H12N2.C2H2O4/c1-7(10-9)8-5-3-2-4-6-8;3-1(4)2(5)6/h2-7,10H,9H2,1H3;(H,3,4)(H,5,6)
InChIKeyZJHCOEKEFDUTPX-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.37
Rot. Bonds2

About oxalic acid;1-phenylethylhydrazine

oxalic acid;1-phenylethylhydrazine (PubChem CID 16472) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is oxalic acid;1-phenylethylhydrazine.

Molecular Properties

Compound Nameoxalic acid;1-phenylethylhydrazine
PubChem CID16472
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nameoxalic acid;1-phenylethylhydrazine
SMILESCC(NN)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C8H12N2.C2H2O4/c1-7(10-9)8-5-3-2-4-6-8;3-1(4)2(5)6/h2-7,10H,9H2,1H3;(H,3,4)(H,5,6)
InChIKeyZJHCOEKEFDUTPX-UHFFFAOYSA-N
XLogP0.37
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 oxalic acid;1-phenylethylhydrazine?
The IUPAC name of oxalic acid;1-phenylethylhydrazine (CID 16472) is oxalic acid;1-phenylethylhydrazine.
What is the SMILES notation for oxalic acid;1-phenylethylhydrazine?
The canonical SMILES for oxalic acid;1-phenylethylhydrazine is CC(NN)c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-phenylethylhydrazine?
The InChIKey is ZJHCOEKEFDUTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C2H2O4/c1-7(10-9)8-5-3-2-4-6-8;3-1(4)2(5)6/h2-7,10H,9H2,1H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-phenylethylhydrazine?
oxalic acid;1-phenylethylhydrazine has a molecular weight of 226.23 g/mol, XLogP of 0.37, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-phenylethylhydrazine is sourced from PubChem (CID 16472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).