2-pyrrol-1-ylbenzohydrazide

C11H11N3O — CID 727889

IUPAC2-pyrrol-1-ylbenzohydrazide
SMILESNNC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C11H11N3O/c12-13-11(15)9-5-1-2-6-10(9)14-7-3-4-8-14/h1-8H,12H2,(H,13,15)
InChIKeyZPLLLYUFDQNKQE-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.08
Rot. Bonds2

About 2-pyrrol-1-ylbenzohydrazide

2-pyrrol-1-ylbenzohydrazide (PubChem CID 727889) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-pyrrol-1-ylbenzohydrazide.

Molecular Properties

Compound Name2-pyrrol-1-ylbenzohydrazide
PubChem CID727889
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-pyrrol-1-ylbenzohydrazide
SMILESNNC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C11H11N3O/c12-13-11(15)9-5-1-2-6-10(9)14-7-3-4-8-14/h1-8H,12H2,(H,13,15)
InChIKeyZPLLLYUFDQNKQE-UHFFFAOYSA-N
XLogP1.08
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
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 2-pyrrol-1-ylbenzohydrazide?
The IUPAC name of 2-pyrrol-1-ylbenzohydrazide (CID 727889) is 2-pyrrol-1-ylbenzohydrazide.
What is the SMILES notation for 2-pyrrol-1-ylbenzohydrazide?
The canonical SMILES for 2-pyrrol-1-ylbenzohydrazide is NNC(=O)c1ccccc1-n1cccc1.
What is the InChIKey of 2-pyrrol-1-ylbenzohydrazide?
The InChIKey is ZPLLLYUFDQNKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-13-11(15)9-5-1-2-6-10(9)14-7-3-4-8-14/h1-8H,12H2,(H,13,15).
What are the key properties of 2-pyrrol-1-ylbenzohydrazide?
2-pyrrol-1-ylbenzohydrazide has a molecular weight of 201.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-ylbenzohydrazide is sourced from PubChem (CID 727889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).