(2Z)-2-hydrazinylidene-3-phenylpropanoic acid

C9H10N2O2 — CID 127047861

IUPAC(2Z)-2-hydrazinylidene-3-phenylpropanoic acid
SMILESN/N=C(/Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H10N2O2/c10-11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5H,6,10H2,(H,12,13)/b11-8-
InChIKeyWPOOABJYOKEKLH-FLIBITNWSA-N
MW178.19 g/mol
LogP0.63
Rot. Bonds3

About (2Z)-2-hydrazinylidene-3-phenylpropanoic acid

(2Z)-2-hydrazinylidene-3-phenylpropanoic acid (PubChem CID 127047861) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is (2Z)-2-hydrazinylidene-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2Z)-2-hydrazinylidene-3-phenylpropanoic acid
PubChem CID127047861
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name(2Z)-2-hydrazinylidene-3-phenylpropanoic acid
SMILESN/N=C(/Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H10N2O2/c10-11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5H,6,10H2,(H,12,13)/b11-8-
InChIKeyWPOOABJYOKEKLH-FLIBITNWSA-N
XLogP0.63
TPSA75.68 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 ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 (2Z)-2-hydrazinylidene-3-phenylpropanoic acid?
The IUPAC name of (2Z)-2-hydrazinylidene-3-phenylpropanoic acid (CID 127047861) is (2Z)-2-hydrazinylidene-3-phenylpropanoic acid.
What is the SMILES notation for (2Z)-2-hydrazinylidene-3-phenylpropanoic acid?
The canonical SMILES for (2Z)-2-hydrazinylidene-3-phenylpropanoic acid is N/N=C(/Cc1ccccc1)C(=O)O.
What is the InChIKey of (2Z)-2-hydrazinylidene-3-phenylpropanoic acid?
The InChIKey is WPOOABJYOKEKLH-FLIBITNWSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5H,6,10H2,(H,12,13)/b11-8-.
What are the key properties of (2Z)-2-hydrazinylidene-3-phenylpropanoic acid?
(2Z)-2-hydrazinylidene-3-phenylpropanoic acid has a molecular weight of 178.19 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydrazinylidene-3-phenylpropanoic acid is sourced from PubChem (CID 127047861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).