5-hydrazinylbenzene-1,3-dicarbaldehyde

C8H8N2O2 — CID 131191320

IUPAC5-hydrazinylbenzene-1,3-dicarbaldehyde
SMILESNNc1cc(C=O)cc(C=O)c1
InChIInChI=1S/C8H8N2O2/c9-10-8-2-6(4-11)1-7(3-8)5-12/h1-5,10H,9H2
InChIKeyOUJFNCPTHNJGFU-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.60
Rot. Bonds3

About 5-hydrazinylbenzene-1,3-dicarbaldehyde

5-hydrazinylbenzene-1,3-dicarbaldehyde (PubChem CID 131191320) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 5-hydrazinylbenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name5-hydrazinylbenzene-1,3-dicarbaldehyde
PubChem CID131191320
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name5-hydrazinylbenzene-1,3-dicarbaldehyde
SMILESNNc1cc(C=O)cc(C=O)c1
InChIInChI=1S/C8H8N2O2/c9-10-8-2-6(4-11)1-7(3-8)5-12/h1-5,10H,9H2
InChIKeyOUJFNCPTHNJGFU-UHFFFAOYSA-N
XLogP0.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 5-hydrazinylbenzene-1,3-dicarbaldehyde?
The IUPAC name of 5-hydrazinylbenzene-1,3-dicarbaldehyde (CID 131191320) is 5-hydrazinylbenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 5-hydrazinylbenzene-1,3-dicarbaldehyde?
The canonical SMILES for 5-hydrazinylbenzene-1,3-dicarbaldehyde is NNc1cc(C=O)cc(C=O)c1.
What is the InChIKey of 5-hydrazinylbenzene-1,3-dicarbaldehyde?
The InChIKey is OUJFNCPTHNJGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c9-10-8-2-6(4-11)1-7(3-8)5-12/h1-5,10H,9H2.
What are the key properties of 5-hydrazinylbenzene-1,3-dicarbaldehyde?
5-hydrazinylbenzene-1,3-dicarbaldehyde has a molecular weight of 164.16 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinylbenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 131191320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).