2-(phenylhydrazinylidene)acetic acid

C8H8N2O2 — CID 57358291

IUPAC2-(phenylhydrazinylidene)acetic acid
SMILESO=C(O)C=NNc1ccccc1
InChIInChI=1S/C8H8N2O2/c11-8(12)6-9-10-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)
InChIKeyYCHFCKWRGIPCMO-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.17
Rot. Bonds3

About 2-(phenylhydrazinylidene)acetic acid

2-(phenylhydrazinylidene)acetic acid (PubChem CID 57358291) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-(phenylhydrazinylidene)acetic acid.

Molecular Properties

Compound Name2-(phenylhydrazinylidene)acetic acid
PubChem CID57358291
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name2-(phenylhydrazinylidene)acetic acid
SMILESO=C(O)C=NNc1ccccc1
InChIInChI=1S/C8H8N2O2/c11-8(12)6-9-10-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)
InChIKeyYCHFCKWRGIPCMO-UHFFFAOYSA-N
XLogP1.17
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 2-(phenylhydrazinylidene)acetic acid?
The IUPAC name of 2-(phenylhydrazinylidene)acetic acid (CID 57358291) is 2-(phenylhydrazinylidene)acetic acid.
What is the SMILES notation for 2-(phenylhydrazinylidene)acetic acid?
The canonical SMILES for 2-(phenylhydrazinylidene)acetic acid is O=C(O)C=NNc1ccccc1.
What is the InChIKey of 2-(phenylhydrazinylidene)acetic acid?
The InChIKey is YCHFCKWRGIPCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-8(12)6-9-10-7-4-2-1-3-5-7/h1-6,10H,(H,11,12).
What are the key properties of 2-(phenylhydrazinylidene)acetic acid?
2-(phenylhydrazinylidene)acetic acid has a molecular weight of 164.16 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylhydrazinylidene)acetic acid is sourced from PubChem (CID 57358291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).