[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine

C16H16Br2N2 — CID 107979238

IUPAC[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine
SMILESNNC(CC1Cc2ccccc21)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H16Br2N2/c17-13-6-12(7-14(18)9-13)16(20-19)8-11-5-10-3-1-2-4-15(10)11/h1-4,6-7,9,11,16,20H,5,8,19H2
InChIKeySPKLZHCLNIYCDO-UHFFFAOYSA-N
MW396.13 g/mol
LogP4.45
Rot. Bonds4

About [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine

[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine (PubChem CID 107979238) has the molecular formula C16H16Br2N2 and a molecular weight of 396.13 g/mol. Its IUPAC name is [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine
PubChem CID107979238
Molecular FormulaC16H16Br2N2
Molecular Weight396.13 g/mol
Exact Mass393.97
IUPAC Name[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine
SMILESNNC(CC1Cc2ccccc21)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H16Br2N2/c17-13-6-12(7-14(18)9-13)16(20-19)8-11-5-10-3-1-2-4-15(10)11/h1-4,6-7,9,11,16,20H,5,8,19H2
InChIKeySPKLZHCLNIYCDO-UHFFFAOYSA-N
XLogP4.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.13
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-5-fluorophenyl)ethyl]hydrazine
CID 105238729
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105319368
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol
CID 107978498
2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-hydrazinylethyl]-4-bromoaniline
CID 105263584
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105257179
4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105319277
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105319371
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105319376
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203771
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,4-dimethylphenyl)ethyl]hydrazine
CID 105319301
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propan-2-ylhydrazine
CID 105201338
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
CID 114022357

Frequently Asked Questions

What is the IUPAC name of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine?
The IUPAC name of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine (CID 107979238) is [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine is NNC(CC1Cc2ccccc21)c1cc(Br)cc(Br)c1.
What is the InChIKey of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine?
The InChIKey is SPKLZHCLNIYCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2/c17-13-6-12(7-14(18)9-13)16(20-19)8-11-5-10-3-1-2-4-15(10)11/h1-4,6-7,9,11,16,20H,5,8,19H2.
What are the key properties of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine?
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine has a molecular weight of 396.13 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine is sourced from PubChem (CID 107979238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).