4-hydrazinyl-4-oxo-N-phenylbutanamide

C10H13N3O2 — CID 730470

IUPAC4-hydrazinyl-4-oxo-N-phenylbutanamide
SMILESNNC(=O)CCC(=O)Nc1ccccc1
InChIInChI=1S/C10H13N3O2/c11-13-10(15)7-6-9(14)12-8-4-2-1-3-5-8/h1-5H,6-7,11H2,(H,12,14)(H,13,15)
InChIKeyROJPAFXOUKTQAD-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.40
Rot. Bonds4

About 4-hydrazinyl-4-oxo-N-phenylbutanamide

4-hydrazinyl-4-oxo-N-phenylbutanamide (PubChem CID 730470) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-hydrazinyl-4-oxo-N-phenylbutanamide.

Molecular Properties

Compound Name4-hydrazinyl-4-oxo-N-phenylbutanamide
PubChem CID730470
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-hydrazinyl-4-oxo-N-phenylbutanamide
SMILESNNC(=O)CCC(=O)Nc1ccccc1
InChIInChI=1S/C10H13N3O2/c11-13-10(15)7-6-9(14)12-8-4-2-1-3-5-8/h1-5H,6-7,11H2,(H,12,14)(H,13,15)
InChIKeyROJPAFXOUKTQAD-UHFFFAOYSA-N
XLogP0.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 4-hydrazinyl-4-oxo-N-phenylbutanamide?
The IUPAC name of 4-hydrazinyl-4-oxo-N-phenylbutanamide (CID 730470) is 4-hydrazinyl-4-oxo-N-phenylbutanamide.
What is the SMILES notation for 4-hydrazinyl-4-oxo-N-phenylbutanamide?
The canonical SMILES for 4-hydrazinyl-4-oxo-N-phenylbutanamide is NNC(=O)CCC(=O)Nc1ccccc1.
What is the InChIKey of 4-hydrazinyl-4-oxo-N-phenylbutanamide?
The InChIKey is ROJPAFXOUKTQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-13-10(15)7-6-9(14)12-8-4-2-1-3-5-8/h1-5H,6-7,11H2,(H,12,14)(H,13,15).
What are the key properties of 4-hydrazinyl-4-oxo-N-phenylbutanamide?
4-hydrazinyl-4-oxo-N-phenylbutanamide has a molecular weight of 207.23 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-4-oxo-N-phenylbutanamide is sourced from PubChem (CID 730470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).