4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide

C11H12BrN3O — CID 1212491

IUPAC4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide
SMILESO=C(NNC1=NCCC1)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3O/c12-9-5-3-8(4-6-9)11(16)15-14-10-2-1-7-13-10/h3-6H,1-2,7H2,(H,13,14)(H,15,16)
InChIKeyQKAHAXIACNFPOK-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.88
Rot. Bonds1

About 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide

4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide (PubChem CID 1212491) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide
PubChem CID1212491
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide
SMILESO=C(NNC1=NCCC1)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3O/c12-9-5-3-8(4-6-9)11(16)15-14-10-2-1-7-13-10/h3-6H,1-2,7H2,(H,13,14)(H,15,16)
InChIKeyQKAHAXIACNFPOK-UHFFFAOYSA-N
XLogP1.88
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide 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 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide?
The IUPAC name of 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide (CID 1212491) is 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide.
What is the SMILES notation for 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide?
The canonical SMILES for 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide is O=C(NNC1=NCCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide?
The InChIKey is QKAHAXIACNFPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-9-5-3-8(4-6-9)11(16)15-14-10-2-1-7-13-10/h3-6H,1-2,7H2,(H,13,14)(H,15,16).
What are the key properties of 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide?
4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide has a molecular weight of 282.14 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide is sourced from PubChem (CID 1212491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).