1-[(E)-5-bromopent-4-enyl]indole

C13H14BrN — CID 154723220

IUPAC1-[(E)-5-bromopent-4-enyl]indole
SMILESBr/C=C/CCCn1ccc2ccccc21
InChIInChI=1S/C13H14BrN/c14-9-4-1-5-10-15-11-8-12-6-2-3-7-13(12)15/h2-4,6-9,11H,1,5,10H2/b9-4+
InChIKeyDIJYHEHUWNQNPZ-RUDMXATFSA-N
MW264.17 g/mol
LogP4.33
Rot. Bonds4

About 1-[(E)-5-bromopent-4-enyl]indole

1-[(E)-5-bromopent-4-enyl]indole (PubChem CID 154723220) has the molecular formula C13H14BrN and a molecular weight of 264.17 g/mol. Its IUPAC name is 1-[(E)-5-bromopent-4-enyl]indole.

Molecular Properties

Compound Name1-[(E)-5-bromopent-4-enyl]indole
PubChem CID154723220
Molecular FormulaC13H14BrN
Molecular Weight264.17 g/mol
Exact Mass263.03
IUPAC Name1-[(E)-5-bromopent-4-enyl]indole
SMILESBr/C=C/CCCn1ccc2ccccc21
InChIInChI=1S/C13H14BrN/c14-9-4-1-5-10-15-11-8-12-6-2-3-7-13(12)15/h2-4,6-9,11H,1,5,10H2/b9-4+
InChIKeyDIJYHEHUWNQNPZ-RUDMXATFSA-N
XLogP4.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 11323600
3-indol-1-ylpropan-1-amine
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3-indol-1-ylpropane-1-thiol
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1-(3-fluoropropyl)indole
CID 81113690
CID 58655955
CID 58655955
acetic acid;1-butylindole
CID 162326365
1-(2-fluoroethyl)indole
CID 80694500
1-indol-1-ylheptan-4-one
CID 142802450
1-(3-ethylsulfonylpropyl)indole
CID 65097244
1-(2-phenylethyl)indole
CID 12601752
1-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 3018029
1-(4-imidazol-1-ylbutyl)indole
CID 151284685

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5-bromopent-4-enyl]indole?
The IUPAC name of 1-[(E)-5-bromopent-4-enyl]indole (CID 154723220) is 1-[(E)-5-bromopent-4-enyl]indole.
What is the SMILES notation for 1-[(E)-5-bromopent-4-enyl]indole?
The canonical SMILES for 1-[(E)-5-bromopent-4-enyl]indole is Br/C=C/CCCn1ccc2ccccc21.
What is the InChIKey of 1-[(E)-5-bromopent-4-enyl]indole?
The InChIKey is DIJYHEHUWNQNPZ-RUDMXATFSA-N. The full InChI is InChI=1S/C13H14BrN/c14-9-4-1-5-10-15-11-8-12-6-2-3-7-13(12)15/h2-4,6-9,11H,1,5,10H2/b9-4+.
What are the key properties of 1-[(E)-5-bromopent-4-enyl]indole?
1-[(E)-5-bromopent-4-enyl]indole has a molecular weight of 264.17 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-bromopent-4-enyl]indole is sourced from PubChem (CID 154723220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).