oxalic acid;4-phenylbutan-2-ylhydrazine

C12H18N2O4 — CID 28621

IUPACoxalic acid;4-phenylbutan-2-ylhydrazine
SMILESCC(CCc1ccccc1)NN.O=C(O)C(=O)O
InChIInChI=1S/C10H16N2.C2H2O4/c1-9(12-11)7-8-10-5-3-2-4-6-10;3-1(4)2(5)6/h2-6,9,12H,7-8,11H2,1H3;(H,3,4)(H,5,6)
InChIKeyJUFBBPZKNVQTAG-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.63
Rot. Bonds4

About oxalic acid;4-phenylbutan-2-ylhydrazine

oxalic acid;4-phenylbutan-2-ylhydrazine (PubChem CID 28621) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is oxalic acid;4-phenylbutan-2-ylhydrazine.

Molecular Properties

Compound Nameoxalic acid;4-phenylbutan-2-ylhydrazine
PubChem CID28621
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Nameoxalic acid;4-phenylbutan-2-ylhydrazine
SMILESCC(CCc1ccccc1)NN.O=C(O)C(=O)O
InChIInChI=1S/C10H16N2.C2H2O4/c1-9(12-11)7-8-10-5-3-2-4-6-10;3-1(4)2(5)6/h2-6,9,12H,7-8,11H2,1H3;(H,3,4)(H,5,6)
InChIKeyJUFBBPZKNVQTAG-UHFFFAOYSA-N
XLogP0.63
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.63
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;4-phenylbutan-2-ylhydrazine?
The IUPAC name of oxalic acid;4-phenylbutan-2-ylhydrazine (CID 28621) is oxalic acid;4-phenylbutan-2-ylhydrazine.
What is the SMILES notation for oxalic acid;4-phenylbutan-2-ylhydrazine?
The canonical SMILES for oxalic acid;4-phenylbutan-2-ylhydrazine is CC(CCc1ccccc1)NN.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;4-phenylbutan-2-ylhydrazine?
The InChIKey is JUFBBPZKNVQTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C2H2O4/c1-9(12-11)7-8-10-5-3-2-4-6-10;3-1(4)2(5)6/h2-6,9,12H,7-8,11H2,1H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;4-phenylbutan-2-ylhydrazine?
oxalic acid;4-phenylbutan-2-ylhydrazine has a molecular weight of 254.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;4-phenylbutan-2-ylhydrazine is sourced from PubChem (CID 28621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).