(2E)-2-(phenylhydrazinylidene)propanoic acid

C9H10N2O2 — CID 5354181

IUPAC(2E)-2-(phenylhydrazinylidene)propanoic acid
SMILESC/C(=N\Nc1ccccc1)C(=O)O
InChIInChI=1S/C9H10N2O2/c1-7(9(12)13)10-11-8-5-3-2-4-6-8/h2-6,11H,1H3,(H,12,13)/b10-7+
InChIKeyCSTSUTMIORLRIN-JXMROGBWSA-N
MW178.19 g/mol
LogP1.56
Rot. Bonds3

About (2E)-2-(phenylhydrazinylidene)propanoic acid

(2E)-2-(phenylhydrazinylidene)propanoic acid (PubChem CID 5354181) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is (2E)-2-(phenylhydrazinylidene)propanoic acid.

Molecular Properties

Compound Name(2E)-2-(phenylhydrazinylidene)propanoic acid
PubChem CID5354181
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name(2E)-2-(phenylhydrazinylidene)propanoic acid
SMILESC/C(=N\Nc1ccccc1)C(=O)O
InChIInChI=1S/C9H10N2O2/c1-7(9(12)13)10-11-8-5-3-2-4-6-8/h2-6,11H,1H3,(H,12,13)/b10-7+
InChIKeyCSTSUTMIORLRIN-JXMROGBWSA-N
XLogP1.56
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.56
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 (2E)-2-(phenylhydrazinylidene)propanoic acid?
The IUPAC name of (2E)-2-(phenylhydrazinylidene)propanoic acid (CID 5354181) is (2E)-2-(phenylhydrazinylidene)propanoic acid.
What is the SMILES notation for (2E)-2-(phenylhydrazinylidene)propanoic acid?
The canonical SMILES for (2E)-2-(phenylhydrazinylidene)propanoic acid is C/C(=N\Nc1ccccc1)C(=O)O.
What is the InChIKey of (2E)-2-(phenylhydrazinylidene)propanoic acid?
The InChIKey is CSTSUTMIORLRIN-JXMROGBWSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-7(9(12)13)10-11-8-5-3-2-4-6-8/h2-6,11H,1H3,(H,12,13)/b10-7+.
What are the key properties of (2E)-2-(phenylhydrazinylidene)propanoic acid?
(2E)-2-(phenylhydrazinylidene)propanoic acid has a molecular weight of 178.19 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(phenylhydrazinylidene)propanoic acid is sourced from PubChem (CID 5354181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).