(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylidenehydrazine

C9H9BrN2O — CID 168529950

IUPAC(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylidenehydrazine
SMILESNN=Cc1cc(Br)c2c(c1)CCO2
InChIInChI=1S/C9H9BrN2O/c10-8-4-6(5-12-11)3-7-1-2-13-9(7)8/h3-5H,1-2,11H2
InChIKeyKUHYMFMRGDVVJJ-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.68
Rot. Bonds1

About (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylidenehydrazine

(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylidenehydrazine (PubChem CID 168529950) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylidenehydrazine.

Molecular Properties

Compound Name(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylidenehydrazine
PubChem CID168529950
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylidenehydrazine
SMILESNN=Cc1cc(Br)c2c(c1)CCO2
InChIInChI=1S/C9H9BrN2O/c10-8-4-6(5-12-11)3-7-1-2-13-9(7)8/h3-5H,1-2,11H2
InChIKeyKUHYMFMRGDVVJJ-UHFFFAOYSA-N
XLogP1.68
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylidenehydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylideneamino]thiourea
CID 168535061
2-N-[(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626698
benzyl N'-[(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylideneamino]carbamimidothioate
CID 168612115
(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 66545161
ethyl 2-[2-[2-[(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623755
7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 83899521
2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 83901569
2-amino-1-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 83901568
7-bromo-5-nitro-2,3-dihydro-1-benzofuran
CID 18787034
3-amino-1-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 84808835
methyl 7-bromo-2,3-dihydro-1-benzofuran-5-carboxylate
CID 131617097
3-(9-bromo-2,3,4,5-tetrahydro-1-benzoxepin-7-yl)propan-1-amine
CID 82249651

Frequently Asked Questions

What is the IUPAC name of (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylidenehydrazine?
The IUPAC name of (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylidenehydrazine (CID 168529950) is (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylidenehydrazine.
What is the SMILES notation for (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylidenehydrazine?
The canonical SMILES for (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylidenehydrazine is NN=Cc1cc(Br)c2c(c1)CCO2.
What is the InChIKey of (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylidenehydrazine?
The InChIKey is KUHYMFMRGDVVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-8-4-6(5-12-11)3-7-1-2-13-9(7)8/h3-5H,1-2,11H2.
What are the key properties of (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylidenehydrazine?
(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylidenehydrazine has a molecular weight of 241.09 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-2,3-dihydro-1-benzofuran-5-yl)methylidenehydrazine is sourced from PubChem (CID 168529950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).