oxalic acid;2-phenylpropylhydrazine

C11H16N2O4 — CID 15622

IUPACoxalic acid;2-phenylpropylhydrazine
SMILESCC(CNN)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C9H14N2.C2H2O4/c1-8(7-11-10)9-5-3-2-4-6-9;3-1(4)2(5)6/h2-6,8,11H,7,10H2,1H3;(H,3,4)(H,5,6)
InChIKeyHBCKOTAFNPHJBM-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.41
Rot. Bonds3

About oxalic acid;2-phenylpropylhydrazine

oxalic acid;2-phenylpropylhydrazine (PubChem CID 15622) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is oxalic acid;2-phenylpropylhydrazine.

Molecular Properties

Compound Nameoxalic acid;2-phenylpropylhydrazine
PubChem CID15622
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameoxalic acid;2-phenylpropylhydrazine
SMILESCC(CNN)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C9H14N2.C2H2O4/c1-8(7-11-10)9-5-3-2-4-6-9;3-1(4)2(5)6/h2-6,8,11H,7,10H2,1H3;(H,3,4)(H,5,6)
InChIKeyHBCKOTAFNPHJBM-UHFFFAOYSA-N
XLogP0.41
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.41
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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Related Compounds

Benzylhydrazinium oxalate (1:1)
CID 13000183
Mebanazine oxalate
CID 16472
Hydrazine, (3-phenylpropyl)-, ethanedioate (1:1)
CID 18808
Acetic acid, 2-(3-phenylpropyl)hydrazide, oxalate (1:1)
CID 27065
Hydrazine, (1-methyl-3-phenylpropyl)-, ethanedioate (1:1)
CID 28621
Hydrazine, (1-methyl-5-phenylpentyl)-, oxalate (1:1)
CID 28623
Hydrazine, (p-fluoro-alpha-methylbenzyl)-, oxalate
CID 53243
Oxalic acid--(1-phenylpropyl)hydrazine (1/1)
CID 53245
(2S)-2-[2-(2-phenylethyl)hydrazinyl]propanoic acid
CID 69047916
(Benzylamino)azanium;2-hydroxy-2-oxoacetate
CID 56842598
Oxalic acid--[1-(4-fluorophenyl)ethyl]hydrazine (1/1)
CID 85993674
Oxalic acid--(2-phenylpropan-2-yl)hydrazine (1/1)
CID 71388863

Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-phenylpropylhydrazine?
The IUPAC name of oxalic acid;2-phenylpropylhydrazine (CID 15622) is oxalic acid;2-phenylpropylhydrazine.
What is the SMILES notation for oxalic acid;2-phenylpropylhydrazine?
The canonical SMILES for oxalic acid;2-phenylpropylhydrazine is CC(CNN)c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;2-phenylpropylhydrazine?
The InChIKey is HBCKOTAFNPHJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H2O4/c1-8(7-11-10)9-5-3-2-4-6-9;3-1(4)2(5)6/h2-6,8,11H,7,10H2,1H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-phenylpropylhydrazine?
oxalic acid;2-phenylpropylhydrazine has a molecular weight of 240.26 g/mol, XLogP of 0.41, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-phenylpropylhydrazine is sourced from PubChem (CID 15622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).