About N'-(2-phenylacetyl)propanehydrazide
N'-(2-phenylacetyl)propanehydrazide (PubChem CID 968153) has the molecular formula C11H14N2O2
and a molecular weight of 206.24 g/mol. Its IUPAC name is N'-(2-phenylacetyl)propanehydrazide.
Molecular Properties
| Compound Name | N'-(2-phenylacetyl)propanehydrazide |
| PubChem CID | 968153 |
| Molecular Formula | C11H14N2O2 |
| Molecular Weight | 206.24 g/mol |
| Exact Mass | 206.11 |
| IUPAC Name | N'-(2-phenylacetyl)propanehydrazide |
| SMILES | CCC(=O)NNC(=O)Cc1ccccc1 |
| InChI | InChI=1S/C11H14N2O2/c1-2-10(14)12-13-11(15)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,14)(H,13,15) |
| InChIKey | RGMOILFYPZEFOL-UHFFFAOYSA-N |
| XLogP | 0.79 |
| TPSA | 58.20 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 206.24 |
| LogP ≤ 5 | 0.79 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-(2-phenylacetyl)propanehydrazide?
The IUPAC name of N'-(2-phenylacetyl)propanehydrazide (CID 968153) is N'-(2-phenylacetyl)propanehydrazide.
What is the SMILES notation for N'-(2-phenylacetyl)propanehydrazide?
The canonical SMILES for N'-(2-phenylacetyl)propanehydrazide is CCC(=O)NNC(=O)Cc1ccccc1.
What is the InChIKey of N'-(2-phenylacetyl)propanehydrazide?
The InChIKey is RGMOILFYPZEFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-10(14)12-13-11(15)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N'-(2-phenylacetyl)propanehydrazide?
N'-(2-phenylacetyl)propanehydrazide has a molecular weight of 206.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylacetyl)propanehydrazide is sourced from PubChem (CID 968153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).