1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine

C9H13BrN2S — CID 105269766

IUPAC1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine
SMILESC=CCC(Cc1sccc1Br)NN
InChIInChI=1S/C9H13BrN2S/c1-2-3-7(12-11)6-9-8(10)4-5-13-9/h2,4-5,7,12H,1,3,6,11H2
InChIKeyPWRZOLUNIISBGP-UHFFFAOYSA-N
MW261.19 g/mol
LogP2.46
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine

1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine (PubChem CID 105269766) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine
PubChem CID105269766
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine
SMILESC=CCC(Cc1sccc1Br)NN
InChIInChI=1S/C9H13BrN2S/c1-2-3-7(12-11)6-9-8(10)4-5-13-9/h2,4-5,7,12H,1,3,6,11H2
InChIKeyPWRZOLUNIISBGP-UHFFFAOYSA-N
XLogP2.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 52.46
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

3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244859
[1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine
CID 105299515
1-(2-bromophenyl)pent-4-en-2-ylhydrazine
CID 105214960
[1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212499
4-(3-bromothiophen-2-yl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259328
1-(3-bromothiophen-2-yl)undecan-2-ylhydrazine
CID 105299478
1-(3-bromothiophen-2-yl)decan-2-ylhydrazine
CID 105299600
[1-(3-bromothiophen-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105299615
[1-(3-bromothiophen-2-yl)-3-propoxypropan-2-yl]hydrazine
CID 105210102
[1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-yl]hydrazine
CID 105299566
1,2-bis(3-bromothiophen-2-yl)ethylhydrazine
CID 105299585
[1-(3-bromothiophen-2-yl)-3-(oxan-2-yl)propan-2-yl]hydrazine
CID 105267511

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine?
The IUPAC name of 1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine (CID 105269766) is 1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine is C=CCC(Cc1sccc1Br)NN.
What is the InChIKey of 1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine?
The InChIKey is PWRZOLUNIISBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S/c1-2-3-7(12-11)6-9-8(10)4-5-13-9/h2,4-5,7,12H,1,3,6,11H2.
What are the key properties of 1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine?
1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine has a molecular weight of 261.19 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine is sourced from PubChem (CID 105269766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).