1-[3-bromo-2-[(E)-2-(4-methylfuran-2-yl)ethenyl]phenyl]-1-methylhydrazine

C14H15BrN2O — CID 144838433

IUPAC1-[3-bromo-2-[(E)-2-(4-methylfuran-2-yl)ethenyl]phenyl]-1-methylhydrazine
SMILESCc1coc(/C=C/c2c(Br)cccc2N(C)N)c1
InChIInChI=1S/C14H15BrN2O/c1-10-8-11(18-9-10)6-7-12-13(15)4-3-5-14(12)17(2)16/h3-9H,16H2,1-2H3/b7-6+
InChIKeyNUELIMOPTIXLNS-VOTSOKGWSA-N
MW307.19 g/mol
LogP3.83
Rot. Bonds3

About 1-[3-bromo-2-[(E)-2-(4-methylfuran-2-yl)ethenyl]phenyl]-1-methylhydrazine

1-[3-bromo-2-[(E)-2-(4-methylfuran-2-yl)ethenyl]phenyl]-1-methylhydrazine (PubChem CID 144838433) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-[3-bromo-2-[(E)-2-(4-methylfuran-2-yl)ethenyl]phenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[3-bromo-2-[(E)-2-(4-methylfuran-2-yl)ethenyl]phenyl]-1-methylhydrazine
PubChem CID144838433
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name1-[3-bromo-2-[(E)-2-(4-methylfuran-2-yl)ethenyl]phenyl]-1-methylhydrazine
SMILESCc1coc(/C=C/c2c(Br)cccc2N(C)N)c1
InChIInChI=1S/C14H15BrN2O/c1-10-8-11(18-9-10)6-7-12-13(15)4-3-5-14(12)17(2)16/h3-9H,16H2,1-2H3/b7-6+
InChIKeyNUELIMOPTIXLNS-VOTSOKGWSA-N
XLogP3.83
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-bromo-2-[(E)-2-(4-methylfuran-2-yl)ethenyl]phenyl]-1-methylhydrazine 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 1-[3-bromo-2-[(E)-2-(4-methylfuran-2-yl)ethenyl]phenyl]-1-methylhydrazine?
The IUPAC name of 1-[3-bromo-2-[(E)-2-(4-methylfuran-2-yl)ethenyl]phenyl]-1-methylhydrazine (CID 144838433) is 1-[3-bromo-2-[(E)-2-(4-methylfuran-2-yl)ethenyl]phenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[3-bromo-2-[(E)-2-(4-methylfuran-2-yl)ethenyl]phenyl]-1-methylhydrazine?
The canonical SMILES for 1-[3-bromo-2-[(E)-2-(4-methylfuran-2-yl)ethenyl]phenyl]-1-methylhydrazine is Cc1coc(/C=C/c2c(Br)cccc2N(C)N)c1.
What is the InChIKey of 1-[3-bromo-2-[(E)-2-(4-methylfuran-2-yl)ethenyl]phenyl]-1-methylhydrazine?
The InChIKey is NUELIMOPTIXLNS-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10-8-11(18-9-10)6-7-12-13(15)4-3-5-14(12)17(2)16/h3-9H,16H2,1-2H3/b7-6+.
What are the key properties of 1-[3-bromo-2-[(E)-2-(4-methylfuran-2-yl)ethenyl]phenyl]-1-methylhydrazine?
1-[3-bromo-2-[(E)-2-(4-methylfuran-2-yl)ethenyl]phenyl]-1-methylhydrazine has a molecular weight of 307.19 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-[(E)-2-(4-methylfuran-2-yl)ethenyl]phenyl]-1-methylhydrazine is sourced from PubChem (CID 144838433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).