3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide

C13H11N3O2 — CID 1480739

IUPAC3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide
SMILESNNC(=O)c1oc2ccccc2c1-n1cccc1
InChIInChI=1S/C13H11N3O2/c14-15-13(17)12-11(16-7-3-4-8-16)9-5-1-2-6-10(9)18-12/h1-8H,14H2,(H,15,17)
InChIKeyNRVZIYDVWFQSJB-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.83
Rot. Bonds2

About 3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide

3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide (PubChem CID 1480739) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide
PubChem CID1480739
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide
SMILESNNC(=O)c1oc2ccccc2c1-n1cccc1
InChIInChI=1S/C13H11N3O2/c14-15-13(17)12-11(16-7-3-4-8-16)9-5-1-2-6-10(9)18-12/h1-8H,14H2,(H,15,17)
InChIKeyNRVZIYDVWFQSJB-UHFFFAOYSA-N
XLogP1.83
TPSA73.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide 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 3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide (CID 1480739) is 3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide is NNC(=O)c1oc2ccccc2c1-n1cccc1.
What is the InChIKey of 3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide?
The InChIKey is NRVZIYDVWFQSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c14-15-13(17)12-11(16-7-3-4-8-16)9-5-1-2-6-10(9)18-12/h1-8H,14H2,(H,15,17).
What are the key properties of 3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide?
3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide has a molecular weight of 241.25 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 1480739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).