5-(4-bromobut-1-enyl)-1H-indole

C12H12BrN — CID 170497591

IUPAC5-(4-bromobut-1-enyl)-1H-indole
SMILESBrCCC=Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C12H12BrN/c13-7-2-1-3-10-4-5-12-11(9-10)6-8-14-12/h1,3-6,8-9,14H,2,7H2
InChIKeyNGNNJBOVFANYAA-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.97
Rot. Bonds3

About 5-(4-bromobut-1-enyl)-1H-indole

5-(4-bromobut-1-enyl)-1H-indole (PubChem CID 170497591) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is 5-(4-bromobut-1-enyl)-1H-indole.

Molecular Properties

Compound Name5-(4-bromobut-1-enyl)-1H-indole
PubChem CID170497591
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name5-(4-bromobut-1-enyl)-1H-indole
SMILESBrCCC=Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C12H12BrN/c13-7-2-1-3-10-4-5-12-11(9-10)6-8-14-12/h1,3-6,8-9,14H,2,7H2
InChIKeyNGNNJBOVFANYAA-UHFFFAOYSA-N
XLogP3.97
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-(4-bromobut-1-enyl)-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-indol-5-yl)but-3-en-1-amine
CID 170487084
(E)-3-(1H-indol-5-yl)prop-2-en-1-amine
CID 117276942
N-[4-(1H-indol-5-yl)but-3-enyl]acetamide
CID 170488817
5-[(Z)-2-chloroethenyl]-1H-indole
CID 145444556
5-(2-pyridin-4-ylethenyl)-1H-indole
CID 54050993
5-(3-azidoprop-1-enyl)-1H-indole
CID 169461878
S-[3-(1H-indol-5-yl)prop-2-enyl] ethanethioate
CID 169457351
5-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole
CID 135043581
4-(1H-indol-6-yl)but-3-en-1-ol
CID 170476703
5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole
CID 89272280
5-(2-nitroethenyl)-1H-indole
CID 54465016
(E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine
CID 18388284

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromobut-1-enyl)-1H-indole?
The IUPAC name of 5-(4-bromobut-1-enyl)-1H-indole (CID 170497591) is 5-(4-bromobut-1-enyl)-1H-indole.
What is the SMILES notation for 5-(4-bromobut-1-enyl)-1H-indole?
The canonical SMILES for 5-(4-bromobut-1-enyl)-1H-indole is BrCCC=Cc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-(4-bromobut-1-enyl)-1H-indole?
The InChIKey is NGNNJBOVFANYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c13-7-2-1-3-10-4-5-12-11(9-10)6-8-14-12/h1,3-6,8-9,14H,2,7H2.
What are the key properties of 5-(4-bromobut-1-enyl)-1H-indole?
5-(4-bromobut-1-enyl)-1H-indole has a molecular weight of 250.14 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromobut-1-enyl)-1H-indole is sourced from PubChem (CID 170497591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).