2-(3-phenylprop-2-enylhydrazinylidene)propanoic acid

C12H14N2O2 — CID 73183669

IUPAC2-(3-phenylprop-2-enylhydrazinylidene)propanoic acid
SMILESCC(=NNCC=Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H14N2O2/c1-10(12(15)16)14-13-9-5-8-11-6-3-2-4-7-11/h2-8,13H,9H2,1H3,(H,15,16)
InChIKeyFWAVNTWEORJYTM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.75
Rot. Bonds5

About 2-(3-phenylprop-2-enylhydrazinylidene)propanoic acid

2-(3-phenylprop-2-enylhydrazinylidene)propanoic acid (PubChem CID 73183669) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(3-phenylprop-2-enylhydrazinylidene)propanoic acid.

Molecular Properties

Compound Name2-(3-phenylprop-2-enylhydrazinylidene)propanoic acid
PubChem CID73183669
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(3-phenylprop-2-enylhydrazinylidene)propanoic acid
SMILESCC(=NNCC=Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H14N2O2/c1-10(12(15)16)14-13-9-5-8-11-6-3-2-4-7-11/h2-8,13H,9H2,1H3,(H,15,16)
InChIKeyFWAVNTWEORJYTM-UHFFFAOYSA-N
XLogP1.75
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3-phenylprop-2-enylhydrazinylidene)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylprop-2-enylhydrazinylidene)propanoic acid?
The IUPAC name of 2-(3-phenylprop-2-enylhydrazinylidene)propanoic acid (CID 73183669) is 2-(3-phenylprop-2-enylhydrazinylidene)propanoic acid.
What is the SMILES notation for 2-(3-phenylprop-2-enylhydrazinylidene)propanoic acid?
The canonical SMILES for 2-(3-phenylprop-2-enylhydrazinylidene)propanoic acid is CC(=NNCC=Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-(3-phenylprop-2-enylhydrazinylidene)propanoic acid?
The InChIKey is FWAVNTWEORJYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-10(12(15)16)14-13-9-5-8-11-6-3-2-4-7-11/h2-8,13H,9H2,1H3,(H,15,16).
What are the key properties of 2-(3-phenylprop-2-enylhydrazinylidene)propanoic acid?
2-(3-phenylprop-2-enylhydrazinylidene)propanoic acid has a molecular weight of 218.26 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylprop-2-enylhydrazinylidene)propanoic acid is sourced from PubChem (CID 73183669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).