1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine

C12H17BrN2O — CID 105269705

IUPAC1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine
SMILESC=CCC(Cc1cc(Br)ccc1OC)NN
InChIInChI=1S/C12H17BrN2O/c1-3-4-11(15-14)8-9-7-10(13)5-6-12(9)16-2/h3,5-7,11,15H,1,4,8,14H2,2H3
InChIKeyQKRPWOXLINBAAG-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.41
Rot. Bonds6

About 1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine

1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine (PubChem CID 105269705) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine
PubChem CID105269705
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine
SMILESC=CCC(Cc1cc(Br)ccc1OC)NN
InChIInChI=1S/C12H17BrN2O/c1-3-4-11(15-14)8-9-7-10(13)5-6-12(9)16-2/h3,5-7,11,15H,1,4,8,14H2,2H3
InChIKeyQKRPWOXLINBAAG-UHFFFAOYSA-N
XLogP2.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(5-bromo-2-methoxyphenyl)-3-ethoxypropan-2-yl]hydrazine
CID 105235318
[1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 105226128
4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene
CID 83933802
[1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151651
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 115817547
1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62693196
[1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine
CID 105270725
[2-(5-bromo-2-methoxyphenyl)-1-(3-bromophenyl)ethyl]hydrazine
CID 105198026
[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224453
[1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105290129
[2-(5-bromo-2-methoxyphenyl)-1-(5-chlorofuran-2-yl)ethyl]hydrazine
CID 106694227

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine (CID 105269705) is 1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine is C=CCC(Cc1cc(Br)ccc1OC)NN.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine?
The InChIKey is QKRPWOXLINBAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-4-11(15-14)8-9-7-10(13)5-6-12(9)16-2/h3,5-7,11,15H,1,4,8,14H2,2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine?
1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine has a molecular weight of 285.19 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine is sourced from PubChem (CID 105269705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).