3-phenyl-1H-pyrrole-2-carbohydrazide

C11H11N3O — CID 90424323

IUPAC3-phenyl-1H-pyrrole-2-carbohydrazide
SMILESNNC(=O)c1[nH]ccc1-c1ccccc1
InChIInChI=1S/C11H11N3O/c12-14-11(15)10-9(6-7-13-10)8-4-2-1-3-5-8/h1-7,13H,12H2,(H,14,15)
InChIKeyYFVZPBKXYAVBFR-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.29
Rot. Bonds2

About 3-phenyl-1H-pyrrole-2-carbohydrazide

3-phenyl-1H-pyrrole-2-carbohydrazide (PubChem CID 90424323) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-phenyl-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name3-phenyl-1H-pyrrole-2-carbohydrazide
PubChem CID90424323
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name3-phenyl-1H-pyrrole-2-carbohydrazide
SMILESNNC(=O)c1[nH]ccc1-c1ccccc1
InChIInChI=1S/C11H11N3O/c12-14-11(15)10-9(6-7-13-10)8-4-2-1-3-5-8/h1-7,13H,12H2,(H,14,15)
InChIKeyYFVZPBKXYAVBFR-UHFFFAOYSA-N
XLogP1.29
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 3-phenyl-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 3-phenyl-1H-pyrrole-2-carbohydrazide (CID 90424323) is 3-phenyl-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 3-phenyl-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 3-phenyl-1H-pyrrole-2-carbohydrazide is NNC(=O)c1[nH]ccc1-c1ccccc1.
What is the InChIKey of 3-phenyl-1H-pyrrole-2-carbohydrazide?
The InChIKey is YFVZPBKXYAVBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-14-11(15)10-9(6-7-13-10)8-4-2-1-3-5-8/h1-7,13H,12H2,(H,14,15).
What are the key properties of 3-phenyl-1H-pyrrole-2-carbohydrazide?
3-phenyl-1H-pyrrole-2-carbohydrazide has a molecular weight of 201.23 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 90424323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).